# Electronic Supplementary Material (ESI) for Nanoscale.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_a
_database_code_depnum_ccdc_archive 'CCDC 1978774'
loop_
_audit_author_name
_audit_author_address
'Caihong Zhan'
;Zhejiang Normal University 
China
;
_audit_update_record             
;
2020-01-19 deposited with the CCDC.	2020-04-01 downloaded from the CCDC.
;
_audit_creation_date             2020-01-15
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.08.25 svn.r3337 for OlexSys, GUI svn.r5221)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'6(O40 P W12), 2(Cu1 O6), 3(C96 H110 Na0.67 O80), 4(O)'
_chemical_formula_sum            'C288 H330 Cu2 Na2 O496 P6 W72'
_chemical_formula_weight         25323.58
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      cubic
_space_group_IT_number           197
_space_group_name_H-M_alt        'I 2 3'
_space_group_name_Hall           'I 2 2 3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x, y, -z'
'x, -y, -z'
'z, x, y'
'z, -x, -y'
'-z, -x, y'
'-z, x, -y'
'y, z, x'
'-y, z, -x'
'y, -z, -x'
'-y, -z, x'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'z+1/2, x+1/2, y+1/2'
'z+1/2, -x+1/2, -y+1/2'
'-z+1/2, -x+1/2, y+1/2'
'-z+1/2, x+1/2, -y+1/2'
'y+1/2, z+1/2, x+1/2'
'-y+1/2, z+1/2, -x+1/2'
'y+1/2, -z+1/2, -x+1/2'
'-y+1/2, -z+1/2, x+1/2'

_cell_length_a                   41.6063(14)
_cell_length_b                   41.6063(14)
_cell_length_c                   41.6063(14)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     72024(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9721
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.41
_cell_measurement_theta_min      2.40
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    11.618
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.3581
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., J. Appl. Cryst. 48 (2015) 3-10'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            bluish
_exptl_crystal_colour_modifier   bluish
_exptl_crystal_colour_primary    ?
_exptl_crystal_density_diffrn    2.335
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             46096
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0548
_diffrn_reflns_av_unetI/netI     0.0312
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       50
_diffrn_reflns_limit_h_min       -45
_diffrn_reflns_limit_k_max       52
_diffrn_reflns_limit_k_min       -52
_diffrn_reflns_limit_l_max       54
_diffrn_reflns_limit_l_min       -54
_diffrn_reflns_number            268668
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.486
_diffrn_reflns_theta_min         2.077
_diffrn_ambient_temperature      120.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.920
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     1.000
_reflns_number_gt                25844
_reflns_number_total             27556
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SIR2004 (Burla et al., 2007)'
_refine_diff_density_max         2.568
_refine_diff_density_min         -1.305
_refine_diff_density_rms         0.202
_refine_ls_abs_structure_details 
;
 Flack x determined using 11715 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.012(3)
_refine_ls_extinction_coef       0.0000046(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1286
_refine_ls_number_reflns         27556
_refine_ls_number_restraints     42
_refine_ls_R_factor_all          0.0365
_refine_ls_R_factor_gt           0.0328
_refine_ls_restrained_S_all      1.045
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0527P)²+972.5737P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0918
_refine_ls_wR_factor_ref         0.0939
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Same fragment restrains
{O14B, O15B, O21B, C24B, C25B, C26B, C39B} sigma for 1-2: 0.02, 1-3: 0.04
{O138, O114, O99, C206, C29, C30, C31} sigma for 1-2: 0.02, 1-3: 0.04
as
{O14A, O15A, O21A, C24A, C25A, C26A, C39A}
3. Others
 Sof(O14B)=Sof(O15B)=Sof(O21B)=Sof(C24B)=Sof(H24B)=Sof(C25B)=Sof(H25B)=
 Sof(C26B)=Sof(H26B)=Sof(C39B)=Sof(H39B)=1-FVAR(1)
 Sof(O14A)=Sof(O15A)=Sof(O21A)=Sof(C24A)=Sof(H24A)=Sof(C25A)=Sof(H25A)=
 Sof(C26A)=Sof(H26A)=Sof(C39A)=Sof(H39A)=FVAR(1)
 Fixed Sof: Na1(0.33333)
4.a Ternary CH refined with riding coordinates:
 C24A(H24A), C25A(H25A), C26A(H26A), C39A(H39A), C24B(H24B), C25B(H25B),
 C26B(H26B), C39B(H39B), C206(H206), C29(H29), C30(H30), C31(H31), C1(H1),
 C2(H2), C3(H3), C4(H4), C6(H6), C7(H7), C8(H8), C9(H9), C10(H10), C11(H11),
 C13(H13), C14(H14), C15(H15), C16(H16), C17(H17), C18(H18), C20(H20), C21(H21),
  C23(H23), C32(H32), C35(H35), C36(H36), C37(H37), C40(H40), C182(H182),
 C183(H183), C184(H184), C185(H185), C187(H187), C209(H209), C213(H213)
4.b Secondary CH2 refined with riding coordinates:
 C5(H5A,H5B), C12(H12A,H12B), C19(H19A,H19B), C33(H33A,H33B), C34(H34A,H34B),
 C41(H41A,H41B), C208(H20A,H20B), C214(H21A,H21B)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
W00A W 0.67839(2) 0.46213(2) 0.19782(2) 0.02385(11) Uani 1 1 d . . . . .
W00B W 0.80664(2) 0.53554(2) 0.19320(2) 0.02970(12) Uani 1 1 d . . . . .
W00C W 0.68344(2) 0.46303(2) 0.28613(2) 0.02836(12) Uani 1 1 d . . . . .
W001 W 0.73864(2) 0.41233(2) 0.23902(2) 0.02860(12) Uani 1 1 d . . . . .
W002 W 0.74691(2) 0.50005(2) 0.32368(2) 0.02091(10) Uani 1 1 d . . . . .
W003 W 0.81111(2) 0.53623(2) 0.27557(2) 0.02495(11) Uani 1 1 d . . . . .
W004 W 0.73921(2) 0.49610(2) 0.15270(2) 0.02519(11) Uani 1 1 d . . . . .
W005 W 0.69045(2) 0.54519(2) 0.28375(2) 0.02610(12) Uani 1 1 d . . . . .
W006 W 0.79936(2) 0.44750(2) 0.19566(2) 0.03074(13) Uani 1 1 d . . . . .
W007 W 0.68725(2) 0.54418(2) 0.19544(2) 0.02469(11) Uani 1 1 d . . . . .
W008 W 0.80186(2) 0.44864(2) 0.27795(2) 0.02390(11) Uani 1 1 d . . . . .
W009 W 0.75508(2) 0.58270(2) 0.23676(2) 0.03098(13) Uani 1 1 d . . . . .
P2 P 0.74462(7) 0.49773(7) 0.23795(7) 0.0184(6) Uani 1 1 d . . . . .
O0AA O 0.7293(3) 0.3727(2) 0.2404(3) 0.045(3) Uani 1 1 d . . . . .
O1AA O 0.7120(2) 0.4307(2) 0.2721(2) 0.031(2) Uani 1 1 d . . . . .
O2AA O 0.6658(3) 0.5726(3) 0.3006(3) 0.047(3) Uani 1 1 d . . . . .
O3 O 0.7664(3) 0.4633(3) 0.1676(3) 0.036(2) Uani 1 1 d . . . . .
O4 O 0.8253(3) 0.4289(3) 0.1707(3) 0.042(3) Uani 1 1 d . . . . .
O5 O 0.7713(3) 0.4122(3) 0.2068(3) 0.041(3) Uani 1 1 d . . . . .
O6A O 0.7529(3) 0.6234(2) 0.2361(3) 0.038(2) Uani 1 1 d . . . . .
O6B O 0.7031(2) 0.4679(2) 0.1592(3) 0.032(2) Uani 1 1 d . . . . .
O7 O 0.7561(3) 0.5004(3) 0.3633(2) 0.033(2) Uani 1 1 d . . . . .
O8 O 0.6536(3) 0.4423(3) 0.3043(3) 0.037(2) Uani 1 1 d . . . . .
O9 O 0.7162(2) 0.5339(2) 0.3206(2) 0.032(2) Uani 1 1 d . . . . .
O11 O 0.7733(2) 0.4137(2) 0.2700(2) 0.032(2) Uani 1 1 d . . . . .
O14 O 0.7629(2) 0.4657(2) 0.2378(2) 0.0250(18) Uani 1 1 d . . . . .
O15 O 0.7235(3) 0.5693(2) 0.2066(2) 0.035(2) Uani 1 1 d . . . . .
O18 O 0.7895(3) 0.5755(2) 0.2663(2) 0.035(2) Uani 1 1 d . . . . .
O19 O 0.7083(3) 0.4294(2) 0.2098(2) 0.031(2) Uani 1 1 d . . . . .
O21 O 0.7262(3) 0.5703(2) 0.2692(2) 0.034(2) Uani 1 1 d . . . . .
O24 O 0.6635(2) 0.5048(2) 0.1922(2) 0.034(2) Uani 1 1 d . . . . .
O27 O 0.7717(3) 0.5247(2) 0.1658(2) 0.034(2) Uani 1 1 d . . . . .
O28 O 0.7252(2) 0.5001(2) 0.2686(2) 0.0232(17) Uani 1 1 d . . . . .
O29 O 0.6704(3) 0.4655(2) 0.2423(2) 0.034(2) Uani 1 1 d . . . . .
O30 O 0.6678(2) 0.5066(3) 0.2915(3) 0.035(2) Uani 1 1 d . . . . .
O34 O 0.7788(2) 0.5273(2) 0.3065(2) 0.0272(19) Uani 1 1 d . . . . .
O36 O 0.8301(3) 0.4326(2) 0.3016(3) 0.037(2) Uani 1 1 d . . . . .
O42 O 0.8178(2) 0.4914(2) 0.2739(2) 0.029(2) Uani 1 1 d . . . . .
O45 O 0.7688(2) 0.5254(2) 0.2370(2) 0.0269(19) Uani 1 1 d . . . . .
O49 O 0.7107(2) 0.4718(3) 0.3223(2) 0.033(2) Uani 1 1 d . . . . .
O50 O 0.6615(3) 0.5710(3) 0.1796(3) 0.040(3) Uani 1 1 d . . . . .
O52 O 0.6466(3) 0.4412(3) 0.1838(3) 0.042(3) Uani 1 1 d . . . . .
O54 O 0.7865(3) 0.5749(2) 0.2032(2) 0.039(3) Uani 1 1 d . . . . .
O57 O 0.7221(2) 0.4992(2) 0.2092(2) 0.0270(19) Uani 1 1 d . . . . .
O62 O 0.8203(2) 0.4400(3) 0.2364(3) 0.035(2) Uani 1 1 d . . . . .
O66 O 0.8418(3) 0.5479(3) 0.2996(3) 0.042(3) Uani 1 1 d . . . . .
O71 O 0.6775(3) 0.5438(2) 0.2401(2) 0.032(2) Uani 1 1 d . . . . .
O77 O 0.8294(3) 0.5389(3) 0.2331(3) 0.037(2) Uani 1 1 d . . . . .
O91A O 0.7432(3) 0.4944(3) 0.1121(2) 0.037(2) Uani 1 1 d . . . . .
O91B O 0.7097(3) 0.5309(2) 0.1575(2) 0.033(2) Uani 1 1 d . . . . .
O96 O 0.7723(2) 0.4657(2) 0.3076(2) 0.0268(19) Uani 1 1 d . . . . .
O100 O 0.8137(2) 0.4906(2) 0.1961(3) 0.034(2) Uani 1 1 d . . . . .
O216 O 0.8352(3) 0.5470(3) 0.1672(3) 0.049(3) Uani 1 1 d . . . . .
Cu2 Cu 0.74530(4) 0.74530(4) 0.25470(4) 0.0260(6) Uani 1 3 d S T P . .
O93 O 0.7381(3) 0.6959(3) 0.2475(2) 0.036(2) Uani 1 1 d . . . . .
O217 O 0.7558(3) 0.7941(4) 0.2649(4) 0.069(4) Uani 1 1 d . . . . .
O1 O 0.8438(3) 0.6259(3) 0.2821(3) 0.052(4) Uani 1 1 d . . . . .
O2 O 0.8535(4) 0.3417(3) 0.3228(3) 0.058(4) Uani 1 1 d . . . . .
O6 O 0.8765(4) 0.6068(4) 0.1883(4) 0.066(4) Uani 1 1 d . . . . .
O10 O 0.6691(3) 0.3893(4) 0.3558(4) 0.064(4) Uani 1 1 d . . . . .
O14A O 0.9025(6) 0.5478(6) 0.1625(6) 0.054(7) Uiso 0.56(3) 1 d D . . A 1
O15A O 0.8958(6) 0.4779(6) 0.1650(5) 0.048(6) Uiso 0.56(3) 1 d D . . A 1
O21A O 0.9477(6) 0.5298(6) 0.2358(6) 0.055(7) Uiso 0.56(3) 1 d D . . A 1
C24A C 0.9302(7) 0.5474(7) 0.2128(7) 0.045(8) Uiso 0.56(3) 1 d D . . A 1
H24A H 0.9432 0.5665 0.2061 0.054 Uiso 0.56(3) 1 calc R . . A 1
C25A C 0.9205(7) 0.5288(7) 0.1828(7) 0.050(8) Uiso 0.56(3) 1 d D . . A 1
H25A H 0.9406 0.5227 0.1712 0.060 Uiso 0.56(3) 1 calc R . . A 1
C26A C 0.9031(6) 0.4969(6) 0.1931(6) 0.040(7) Uiso 0.56(3) 1 d D . . A 1
H26A H 0.8824 0.5027 0.2039 0.047 Uiso 0.56(3) 1 calc R . . A 1
C39A C 0.9241(7) 0.4799(7) 0.2170(7) 0.042(7) Uiso 0.56(3) 1 d D . . A 1
H39A H 0.9452 0.4747 0.2066 0.051 Uiso 0.56(3) 1 calc R . . A 1
O14B O 0.8987(8) 0.5332(9) 0.1499(9) 0.069(11) Uiso 0.44(3) 1 d D . . A 2
O15B O 0.8898(9) 0.4636(9) 0.1579(8) 0.065(10) Uiso 0.44(3) 1 d D . . A 2
O21B O 0.9497(7) 0.5201(8) 0.2207(8) 0.057(9) Uiso 0.44(3) 1 d D . . A 2
C24B C 0.9289(8) 0.5348(8) 0.1982(9) 0.043(9) Uiso 0.44(3) 1 d D . . A 2
H24B H 0.9427 0.5518 0.1883 0.052 Uiso 0.44(3) 1 calc R . . A 2
C25B C 0.9182(9) 0.5152(9) 0.1695(9) 0.063(13) Uiso 0.44(3) 1 d D . . A 2
H25B H 0.9376 0.5084 0.1571 0.076 Uiso 0.44(3) 1 calc R . . A 2
C26B C 0.9006(9) 0.4845(8) 0.1826(9) 0.048(10) Uiso 0.44(3) 1 d D . . A 2
H26B H 0.8812 0.4919 0.1947 0.058 Uiso 0.44(3) 1 calc R . . A 2
C39B C 0.9227(11) 0.4686(10) 0.2063(11) 0.065(14) Uiso 0.44(3) 1 d D . . A 2
H39B H 0.9428 0.4595 0.1968 0.077 Uiso 0.44(3) 1 calc R . . A 2
O90 O 0.9022(3) 0.5578(4) 0.2250(5) 0.085(6) Uani 1 1 d . . . . .
O92 O 0.8533(3) 0.3663(3) 0.2727(3) 0.041(3) Uani 1 1 d . . . . .
O94 O 0.6943(3) 0.4658(3) 0.4388(3) 0.053(3) Uani 1 1 d . . . . .
O95 O 0.7705(3) 0.3664(2) 0.3412(2) 0.032(2) Uani 1 1 d . . . . .
O97 O 0.7221(4) 0.5830(3) 0.4261(3) 0.054(3) Uani 1 1 d . . . . .
O98 O 0.7603(4) 0.6196(3) 0.3550(3) 0.058(4) Uani 1 1 d . . . . .
O138 O 0.9007(4) 0.4039(5) 0.1745(3) 0.082(6) Uani 1 1 d D . . . .
O114 O 0.8605(4) 0.3542(4) 0.2078(3) 0.072(5) Uani 1 1 d D . . . .
O99 O 0.9292(3) 0.4089(4) 0.2571(4) 0.062(4) Uani 1 1 d D . . . .
C206 C 0.9241(4) 0.4170(6) 0.2245(5) 0.081(9) Uani 1 1 d D . . . .
H206 H 0.9455 0.4204 0.2141 0.097 Uiso 1 1 calc R . . . .
C29 C 0.9057(5) 0.3926(6) 0.2046(5) 0.070(7) Uani 1 1 d D . . . .
H29 H 0.9197 0.3732 0.2026 0.084 Uiso 1 1 calc R . . . .
C30 C 0.8749(5) 0.3820(4) 0.2232(4) 0.053(5) Uani 1 1 d D . . . .
H30 H 0.8591 0.4000 0.2231 0.064 Uiso 1 1 calc R . . . .
C31 C 0.8831(4) 0.3737(4) 0.2574(4) 0.044(4) Uani 1 1 d D . . . .
H31 H 0.8974 0.3544 0.2579 0.053 Uiso 1 1 calc R . . . .
O101 O 0.9063(3) 0.4486(4) 0.2240(4) 0.064(4) Uani 1 1 d . . . . .
O102 O 0.8417(4) 0.6558(3) 0.2244(3) 0.062(4) Uani 1 1 d . . . . .
O105 O 0.7589(3) 0.3727(3) 0.3955(3) 0.039(2) Uani 1 1 d . . . . .
O106 O 0.7004(3) 0.4389(3) 0.3908(3) 0.041(3) Uani 1 1 d . . . . .
O107 O 0.6965(3) 0.5444(2) 0.3963(2) 0.041(3) Uani 1 1 d . . . . .
O113 O 0.9224(5) 0.4222(5) 0.3229(4) 0.088(6) Uani 1 1 d . . . . .
O115 O 0.6510(4) 0.5878(4) 0.3755(4) 0.070(4) Uani 1 1 d . . . . .
O116 O 0.7070(5) 0.5229(4) 0.4776(3) 0.078(5) Uani 1 1 d . . . . .
O117 O 0.7955(4) 0.6719(3) 0.2727(4) 0.071(5) Uani 1 1 d . . . . .
O121 O 0.8156(5) 0.3181(3) 0.2477(3) 0.081(5) Uani 1 1 d . . . . .
O131 O 0.8136(5) 0.6361(4) 0.3636(3) 0.078(5) Uani 1 1 d . . . . .
O133 O 0.7450(4) 0.6761(3) 0.3219(4) 0.070(4) Uani 1 1 d . . . . .
O144 O 0.8653(5) 0.3802(7) 0.3779(4) 0.124(10) Uani 1 1 d . . . . .
O147 O 0.8795(4) 0.6319(6) 0.3537(4) 0.097(7) Uani 1 1 d . . . . .
O148 O 0.9295(4) 0.5811(8) 0.3231(6) 0.159(14) Uani 1 1 d . . . . .
O149 O 0.6360(3) 0.4483(4) 0.3755(4) 0.062(4) Uani 1 1 d . . . . .
O152 O 0.6376(4) 0.5181(4) 0.3741(4) 0.071(4) Uani 1 1 d . . . . .
O154 O 0.7119(4) 0.3411(4) 0.3291(5) 0.085(6) Uani 1 1 d . . . . .
O155 O 0.7520(6) 0.4017(5) 0.4529(4) 0.105(7) Uani 1 1 d . . . . .
O164 O 0.6950(4) 0.6344(3) 0.3464(3) 0.063(4) Uani 1 1 d . . . . .
O166 O 0.7896(5) 0.5691(5) 0.4386(5) 0.104(7) Uani 1 1 d . . . . .
O173 O 0.9806(5) 0.4725(7) 0.2531(8) 0.138(10) Uani 1 1 d . . . . .
O210 O 0.8994(4) 0.6256(5) 0.2830(4) 0.095(8) Uani 1 1 d . . . . .
O212 O 0.7628(4) 0.3230(3) 0.2904(3) 0.060(4) Uani 1 1 d . . . . .
C1 C 0.7165(4) 0.3565(4) 0.3595(5) 0.049(5) Uani 1 1 d . . . . .
H1 H 0.7046 0.3439 0.3762 0.059 Uiso 1 1 calc R . . . .
C2 C 0.7042(4) 0.3904(4) 0.3601(4) 0.046(4) Uani 1 1 d . . . . .
H2 H 0.7139 0.4025 0.3418 0.055 Uiso 1 1 calc R . . . .
C3 C 0.7129(4) 0.4070(4) 0.3910(4) 0.039(4) Uani 1 1 d . . . . .
H3 H 0.7029 0.3950 0.4092 0.047 Uiso 1 1 calc R . . . .
C4 C 0.7488(5) 0.4061(4) 0.3949(4) 0.044(4) Uani 1 1 d . . . . .
H4 H 0.7593 0.4174 0.3765 0.053 Uiso 1 1 calc R . . . .
C5 C 0.7618(5) 0.4186(5) 0.4264(4) 0.057(5) Uani 1 1 d . . . . .
H5A H 0.7856 0.4183 0.4254 0.068 Uiso 1 1 calc R . . . .
H5B H 0.7551 0.4413 0.4289 0.068 Uiso 1 1 calc R . . . .
C6 C 0.7522(4) 0.3551(3) 0.3674(4) 0.038(4) Uani 1 1 d . . . . .
H6 H 0.7581 0.3321 0.3714 0.046 Uiso 1 1 calc R . . . .
C7 C 0.6796(4) 0.4474(5) 0.4158(5) 0.048(4) Uani 1 1 d . . . . .
H7 H 0.6708 0.4275 0.4260 0.058 Uiso 1 1 calc R . . . .
C8 C 0.6520(5) 0.4660(5) 0.3995(5) 0.059(5) Uani 1 1 d . . . . .
H8 H 0.6359 0.4712 0.4165 0.071 Uiso 1 1 calc R . . . .
C9 C 0.6641(4) 0.4983(5) 0.3855(4) 0.047(4) Uani 1 1 d . . . . .
H9 H 0.6794 0.4940 0.3674 0.056 Uiso 1 1 calc R . . . .
C10 C 0.6813(4) 0.5155(4) 0.4119(4) 0.044(4) Uani 1 1 d . . . . .
H10 H 0.6659 0.5223 0.4290 0.053 Uiso 1 1 calc R . . . .
C11 C 0.7092(5) 0.4957(5) 0.4265(4) 0.050(5) Uani 1 1 d . . . . .
H11 H 0.7245 0.4900 0.4089 0.060 Uiso 1 1 calc R . . . .
C12 C 0.7282(6) 0.5118(5) 0.4537(4) 0.056(5) Uani 1 1 d . . . . .
H12A H 0.7435 0.4962 0.4632 0.067 Uiso 1 1 calc R . . . .
H12B H 0.7408 0.5301 0.4450 0.067 Uiso 1 1 calc R . . . .
C13 C 0.6927(4) 0.5730(4) 0.4140(4) 0.040(4) Uani 1 1 d . . . . .
H13 H 0.6769 0.5698 0.4318 0.049 Uiso 1 1 calc R . . . .
C14 C 0.6800(5) 0.5976(4) 0.3895(4) 0.050(5) Uani 1 1 d . . . . .
H14 H 0.6750 0.6175 0.4020 0.060 Uiso 1 1 calc R . . . .
C15 C 0.7045(6) 0.6073(4) 0.3642(4) 0.058(6) Uani 1 1 d . . . . .
H15 H 0.7074 0.5889 0.3490 0.070 Uiso 1 1 calc R . . . .
C16 C 0.7941(6) 0.6507(4) 0.3010(5) 0.063(6) Uani 1 1 d . . . . .
H16 H 0.7812 0.6312 0.2958 0.076 Uiso 1 1 calc R . . . .
C17 C 0.8290(6) 0.6410(4) 0.3082(5) 0.065(7) Uani 1 1 d . . . . .
H17 H 0.8417 0.6605 0.3143 0.078 Uiso 1 1 calc R . . . .
C18 C 0.7794(6) 0.6678(5) 0.3265(5) 0.065(6) Uani 1 1 d . . . . .
H18 H 0.7918 0.6879 0.3306 0.078 Uiso 1 1 calc R . . . .
C19 C 0.8593(6) 0.6065(6) 0.3494(5) 0.070(7) Uani 1 1 d . . . . .
H19A H 0.8575 0.5943 0.3697 0.083 Uiso 1 1 calc R . . . .
H19B H 0.8683 0.5920 0.3328 0.083 Uiso 1 1 calc R . . . .
C20 C 0.8256(6) 0.6178(4) 0.3389(4) 0.057(5) Uani 1 1 d . . . . .
H20 H 0.8113 0.5991 0.3341 0.068 Uiso 1 1 calc R . . . .
C21 C 0.9036(5) 0.5896(6) 0.2342(7) 0.080(8) Uani 1 1 d . . . . .
H21 H 0.9236 0.5998 0.2255 0.096 Uiso 1 1 calc R . . . .
C23 C 0.8741(5) 0.6066(5) 0.2209(5) 0.059(6) Uani 1 1 d . . . . .
H23 H 0.8548 0.5936 0.2267 0.071 Uiso 1 1 calc R . . . .
C28 C 0.9295(7) 0.4978(7) 0.2420(7) 0.087(8) Uiso 1 1 d . . . . .
C32 C 0.8996(4) 0.4017(4) 0.2740(5) 0.048(4) Uani 1 1 d . . . . .
H32 H 0.8853 0.4210 0.2731 0.058 Uiso 1 1 calc R . . . .
C33 C 0.9081(6) 0.3954(5) 0.3075(5) 0.062(5) Uani 1 1 d . . . . .
H33A H 0.8885 0.3891 0.3195 0.074 Uiso 1 1 calc R . . . .
H33B H 0.9233 0.3770 0.3084 0.074 Uiso 1 1 calc R . . . .
C34 C 0.9533(11) 0.4832(12) 0.2657(12) 0.155(17) Uiso 1 1 d . . . . .
H34A H 0.9585 0.4996 0.2822 0.186 Uiso 1 1 calc R . . . .
H34B H 0.9426 0.4651 0.2769 0.186 Uiso 1 1 calc R . . . .
C35 C 0.8516(5) 0.3380(4) 0.2900(4) 0.051(5) Uani 1 1 d . . . . .
H35 H 0.8694 0.3236 0.2828 0.061 Uiso 1 1 calc R . . . .
C36 C 0.8192(6) 0.3221(4) 0.2814(6) 0.065(6) Uani 1 1 d . . . . .
H36 H 0.8190 0.3002 0.2913 0.079 Uiso 1 1 calc R . . . .
C37 C 0.7917(5) 0.3406(4) 0.2951(4) 0.051(5) Uani 1 1 d . . . . .
H37 H 0.7900 0.3618 0.2839 0.061 Uiso 1 1 calc R . . . .
C40 C 0.9036(5) 0.5911(7) 0.2721(6) 0.080(9) Uani 1 1 d . . . . .
H40 H 0.8849 0.5783 0.2801 0.096 Uiso 1 1 calc R . . . .
C41 C 0.9310(6) 0.5804(10) 0.2876(8) 0.125(16) Uani 1 1 d . . . . .
H41A H 0.9493 0.5938 0.2805 0.150 Uiso 1 1 calc R . . . .
H41B H 0.9353 0.5581 0.2807 0.150 Uiso 1 1 calc R . . . .
C182 C 0.8697(6) 0.6416(5) 0.2361(5) 0.064(6) Uani 1 1 d . . . . .
H182 H 0.8881 0.6550 0.2282 0.076 Uiso 1 1 calc R . . . .
C183 C 0.7469(5) 0.5871(4) 0.4029(5) 0.052(5) Uani 1 1 d . . . . .
H183 H 0.7497 0.5668 0.3903 0.062 Uiso 1 1 calc R . . . .
C184 C 0.7366(5) 0.6141(4) 0.3802(4) 0.047(4) Uani 1 1 d . . . . .
H184 H 0.7344 0.6343 0.3931 0.056 Uiso 1 1 calc R . . . .
C185 C 0.7791(7) 0.6464(5) 0.3587(5) 0.071(8) Uani 1 1 d . . . . .
H185 H 0.7716 0.6595 0.3774 0.086 Uiso 1 1 calc R . . . .
C187 C 0.7971(5) 0.3461(3) 0.3304(4) 0.040(4) Uani 1 1 d . . . . .
H187 H 0.7965 0.3251 0.3421 0.048 Uiso 1 1 calc R . . . .
C208 C 0.7793(6) 0.5953(5) 0.4209(5) 0.064(6) Uani 1 1 d . . . . .
H20A H 0.7960 0.6013 0.4051 0.077 Uiso 1 1 calc R . . . .
H20B H 0.7759 0.6138 0.4354 0.077 Uiso 1 1 calc R . . . .
C209 C 0.8711(6) 0.6421(6) 0.2711(5) 0.070(7) Uani 1 1 d . . . . .
H209 H 0.8710 0.6648 0.2790 0.084 Uiso 1 1 calc R . . . .
C213 C 0.8270(5) 0.3616(4) 0.3360(4) 0.044(4) Uani 1 1 d . . . . .
H213 H 0.8272 0.3835 0.3261 0.053 Uiso 1 1 calc R . . . .
C214 C 0.8359(5) 0.3635(6) 0.3712(5) 0.066(6) Uani 1 1 d . . . . .
H21A H 0.8182 0.3743 0.3829 0.079 Uiso 1 1 calc R . . . .
H21B H 0.8376 0.3414 0.3797 0.079 Uiso 1 1 calc R . . . .
O104 O 0.5930(4) 0.4070(4) 0.4070(4) 0.056(6) Uani 1 3 d S T P . .
O219 O 0.6001(4) 0.6001(4) 0.3999(4) 0.071(7) Uani 1 3 d S T P . .
Na1 Na 0.7223(8) 0.5815(8) 0.4949(9) 0.091(9) Uiso 0.3333 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
W00A O6B 1.923(10) . ?
W00A O19 1.910(10) . ?
W00A O24 1.896(10) . ?
W00A O29 1.887(10) . ?
W00A O52 1.686(11) . ?
W00A O57 2.432(10) . ?
W00B O27 1.903(11) . ?
W00B O45 2.443(9) . ?
W00B O54 1.886(11) . ?
W00B O77 1.917(11) . ?
W00B O100 1.898(10) . ?
W00B O216 1.676(11) . ?
W00C O1AA 1.888(11) . ?
W00C O8 1.690(10) . ?
W00C O28 2.435(9) . ?
W00C O29 1.904(10) . ?
W00C O30 1.940(10) . ?
W00C O49 1.920(10) . ?
W001 O0AA 1.695(10) . ?
W001 O1AA 1.924(10) . ?
W001 O5 1.911(12) . ?
W001 O11 1.935(10) . ?
W001 O14 2.441(9) . ?
W001 O19 1.891(10) . ?
W002 O7 1.694(9) . ?
W002 O9 1.904(10) . ?
W002 O28 2.461(9) . ?
W002 O34 1.887(9) . ?
W002 O49 1.911(10) . ?
W002 O96 1.898(9) . ?
W003 O18 1.907(10) . ?
W003 O34 1.898(10) . ?
W003 O42 1.885(9) . ?
W003 O45 2.425(10) . ?
W003 O66 1.694(11) . ?
W003 O77 1.927(11) . ?
W004 O3 1.878(10) . ?
W004 O6B 1.925(10) . ?
W004 O27 1.880(11) . ?
W004 O57 2.462(9) . ?
W004 O91A 1.697(9) . ?
W004 O91B 1.911(10) . ?
W005 O2AA 1.685(10) . ?
W005 O9 1.929(10) . ?
W005 O21 1.914(10) . ?
W005 O28 2.451(9) . ?
W005 O30 1.890(10) . ?
W005 O71 1.894(10) . ?
W006 O3 1.916(11) . ?
W006 O4 1.687(11) . ?
W006 O5 1.933(12) . ?
W006 O14 2.440(9) . ?
W006 O62 1.931(11) . ?
W006 O100 1.888(10) . ?
W007 O15 1.892(11) . ?
W007 O24 1.918(10) . ?
W007 O50 1.681(10) . ?
W007 O57 2.434(9) . ?
W007 O71 1.902(10) . ?
W007 O91B 1.914(10) . ?
W008 O11 1.908(10) . ?
W008 O14 2.433(10) . ?
W008 O36 1.673(10) . ?
W008 O42 1.907(9) . ?
W008 O62 1.926(10) . ?
W008 O96 1.882(10) . ?
W009 O6A 1.694(9) . ?
W009 O15 1.901(11) . ?
W009 O18 1.909(11) . ?
W009 O21 1.880(10) . ?
W009 O45 2.450(9) . ?
W009 O54 1.940(11) . ?
P2 O14 1.534(9) . ?
P2 O28 1.514(9) . ?
P2 O45 1.531(9) . ?
P2 O57 1.520(10) . ?
Cu2 O93 2.097(11) . ?
Cu2 O93 2.097(11) 11_566 ?
Cu2 O93 2.097(11) 8_656 ?
Cu2 O217 2.121(17) 8_656 ?
Cu2 O217 2.120(17) . ?
Cu2 O217 2.121(17) 11_566 ?
O1 C17 1.40(3) . ?
O1 C209 1.40(2) . ?
O2 C35 1.38(2) . ?
O2 C213 1.48(2) . ?
O6 C23 1.36(3) . ?
O10 C2 1.47(2) . ?
O14A C25A 1.38(3) . ?
O15A C26A 1.44(3) . ?
O21A C24A 1.41(3) . ?
O21A C28 1.55(4) . ?
C24A H24A 1.0000 . ?
C24A C25A 1.52(3) . ?
C24A O90 1.34(3) . ?
C25A H25A 1.0000 . ?
C25A C26A 1.57(3) . ?
C26A H26A 1.0000 . ?
C26A C39A 1.50(3) . ?
C39A H39A 1.0000 . ?
C39A O101 1.53(3) . ?
C39A C28 1.29(4) . ?
O14B C25B 1.37(3) . ?
O15B C26B 1.42(3) . ?
O21B C24B 1.41(3) . ?
O21B C28 1.53(4) . ?
C24B H24B 1.0000 . ?
C24B C25B 1.51(3) . ?
C24B O90 1.84(4) . ?
C25B H25B 1.0000 . ?
C25B C26B 1.57(3) . ?
C26B H26B 1.0000 . ?
C26B C39B 1.50(3) . ?
C39B H39B 1.0000 . ?
C39B O101 1.31(4) . ?
C39B C28 1.94(6) . ?
O90 C21 1.38(3) . ?
O92 C31 1.43(2) . ?
O92 C35 1.38(2) . ?
O94 C7 1.37(2) . ?
O94 C11 1.48(2) . ?
O95 C6 1.411(18) . ?
O95 C187 1.462(19) . ?
O97 C13 1.39(2) . ?
O97 C183 1.43(3) . ?
O97 Na1 2.86(4) . ?
O98 C184 1.46(2) . ?
O98 C185 1.37(2) . ?
O138 C29 1.36(2) . ?
O114 C30 1.45(2) . ?
O99 C206 1.42(2) . ?
O99 C32 1.45(2) . ?
C206 H206 1.0000 . ?
C206 C29 1.52(3) . ?
C206 O101 1.51(3) . ?
C29 H29 1.0000 . ?
C29 C30 1.56(2) . ?
C30 H30 1.0000 . ?
C30 C31 1.50(2) . ?
C31 H31 1.0000 . ?
C31 C32 1.52(3) . ?
O102 C182 1.39(3) . ?
O105 C4 1.45(2) . ?
O105 C6 1.407(19) . ?
O106 C3 1.43(2) . ?
O106 C7 1.40(2) . ?
O107 C10 1.50(2) . ?
O107 C13 1.408(18) . ?
O113 C33 1.42(2) . ?
O115 C14 1.40(2) . ?
O116 C12 1.40(2) . ?
O116 Na1 2.62(4) . ?
O117 C16 1.47(2) . ?
O121 C36 1.42(3) . ?
O131 C20 1.37(3) . ?
O131 C185 1.51(3) . ?
O133 C18 1.49(3) . ?
O144 C214 1.44(3) . ?
O147 C19 1.36(3) . ?
O148 C41 1.48(4) . ?
O149 C8 1.41(3) . ?
O152 C9 1.46(2) . ?
O154 C1 1.43(3) . ?
O155 C5 1.37(3) . ?
O155 Na1 2.59(4) 4_566 ?
O164 C15 1.41(2) . ?
O166 C208 1.38(2) . ?
O173 C34 1.33(5) . ?
O210 C40 1.52(4) . ?
O210 C209 1.45(3) . ?
O212 C37 1.42(3) . ?
C1 H1 1.0000 . ?
C1 C2 1.50(3) . ?
C1 C6 1.52(2) . ?
C2 H2 1.0000 . ?
C2 C3 1.50(2) . ?
C3 H3 1.0000 . ?
C3 C4 1.50(2) . ?
C4 H4 1.0000 . ?
C4 C5 1.51(3) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 H6 1.0000 . ?
C7 H7 1.0000 . ?
C7 C8 1.54(3) . ?
C8 H8 1.0000 . ?
C8 C9 1.55(3) . ?
C9 H9 1.0000 . ?
C9 C10 1.49(3) . ?
C10 H10 1.0000 . ?
C10 C11 1.55(2) . ?
C11 H11 1.0000 . ?
C11 C12 1.54(3) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 H13 1.0000 . ?
C13 C14 1.54(2) . ?
C14 H14 1.0000 . ?
C14 C15 1.52(3) . ?
C15 H15 1.0000 . ?
C15 C184 1.52(3) . ?
C16 H16 1.0000 . ?
C16 C17 1.54(3) . ?
C16 C18 1.42(3) . ?
C17 H17 1.0000 . ?
C17 C20 1.61(2) . ?
C18 H18 1.0000 . ?
C18 C185 1.61(3) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C19 C20 1.54(3) . ?
C20 H20 1.0000 . ?
C21 H21 1.0000 . ?
C21 C23 1.52(3) . ?
C21 C40 1.58(4) . ?
C23 H23 1.0000 . ?
C23 C182 1.60(3) . ?
C28 C34 1.53(5) . ?
C32 H32 1.0000 . ?
C32 C33 1.46(3) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 H35 1.0000 . ?
C35 C36 1.55(3) . ?
C36 H36 1.0000 . ?
C36 C37 1.49(3) . ?
C37 H37 1.0000 . ?
C37 C187 1.50(2) . ?
C40 H40 1.0000 . ?
C40 C41 1.38(3) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C182 H182 1.0000 . ?
C182 C209 1.46(3) . ?
C183 H183 1.0000 . ?
C183 C184 1.53(2) . ?
C183 C208 1.58(3) . ?
C184 H184 1.0000 . ?
C185 H185 1.0000 . ?
C187 H187 1.0000 . ?
C187 C213 1.42(3) . ?
C208 H20A 0.9900 . ?
C208 H20B 0.9900 . ?
C209 H209 1.0000 . ?
C213 H213 1.0000 . ?
C213 C214 1.51(3) . ?
C214 H21A 0.9900 . ?
C214 H21B 0.9900 . ?
Na1 O155 2.59(4) 4_566 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O6B W00A O57 71.6(4) . . ?
O19 W00A O6B 87.7(4) . . ?
O19 W00A O57 85.1(4) . . ?
O24 W00A O6B 87.5(4) . . ?
O24 W00A O19 155.9(4) . . ?
O24 W00A O57 71.0(4) . . ?
O29 W00A O6B 154.9(5) . . ?
O29 W00A O19 84.9(4) . . ?
O29 W00A O24 89.7(4) . . ?
O29 W00A O57 83.9(4) . . ?
O52 W00A O6B 101.2(5) . . ?
O52 W00A O19 103.4(5) . . ?
O52 W00A O24 100.7(5) . . ?
O52 W00A O29 103.8(5) . . ?
O52 W00A O57 168.8(5) . . ?
O27 W00B O45 85.0(4) . . ?
O27 W00B O77 156.1(4) . . ?
O54 W00B O27 89.9(5) . . ?
O54 W00B O45 72.4(4) . . ?
O54 W00B O77 87.9(5) . . ?
O54 W00B O100 155.6(4) . . ?
O77 W00B O45 71.7(4) . . ?
O100 W00B O27 85.5(4) . . ?
O100 W00B O45 83.2(4) . . ?
O100 W00B O77 86.7(4) . . ?
O216 W00B O27 102.9(6) . . ?
O216 W00B O45 170.6(5) . . ?
O216 W00B O54 102.1(6) . . ?
O216 W00B O77 100.8(6) . . ?
O216 W00B O100 102.3(6) . . ?
O1AA W00C O28 84.9(4) . . ?
O1AA W00C O29 85.5(4) . . ?
O1AA W00C O30 156.0(4) . . ?
O1AA W00C O49 90.4(4) . . ?
O8 W00C O1AA 103.7(5) . . ?
O8 W00C O28 168.9(4) . . ?
O8 W00C O29 104.2(5) . . ?
O8 W00C O30 100.2(5) . . ?
O8 W00C O49 100.5(5) . . ?
O29 W00C O28 83.3(4) . . ?
O29 W00C O30 88.0(4) . . ?
O29 W00C O49 155.3(4) . . ?
O30 W00C O28 71.4(4) . . ?
O49 W00C O28 72.0(4) . . ?
O49 W00C O30 86.0(5) . . ?
O0AA W001 O1AA 103.2(5) . . ?
O0AA W001 O5 100.6(6) . . ?
O0AA W001 O11 100.1(5) . . ?
O0AA W001 O14 168.7(5) . . ?
O0AA W001 O19 103.6(5) . . ?
O1AA W001 O11 86.6(4) . . ?
O1AA W001 O14 83.8(4) . . ?
O5 W001 O1AA 156.0(4) . . ?
O5 W001 O11 86.5(5) . . ?
O5 W001 O14 72.2(4) . . ?
O11 W001 O14 71.3(4) . . ?
O19 W001 O1AA 85.6(4) . . ?
O19 W001 O5 91.4(5) . . ?
O19 W001 O11 156.2(4) . . ?
O19 W001 O14 85.5(4) . . ?
O7 W002 O9 102.2(5) . . ?
O7 W002 O28 171.5(4) . . ?
O7 W002 O34 101.8(5) . . ?
O7 W002 O49 102.3(5) . . ?
O7 W002 O96 102.9(5) . . ?
O9 W002 O28 71.9(4) . . ?
O9 W002 O49 85.6(4) . . ?
O34 W002 O9 90.0(4) . . ?
O34 W002 O28 84.6(4) . . ?
O34 W002 O49 155.9(4) . . ?
O34 W002 O96 85.9(4) . . ?
O49 W002 O28 71.5(4) . . ?
O96 W002 O9 154.9(4) . . ?
O96 W002 O28 83.0(4) . . ?
O96 W002 O49 88.1(4) . . ?
O18 W003 O45 71.5(4) . . ?
O18 W003 O77 87.2(5) . . ?
O34 W003 O18 88.3(4) . . ?
O34 W003 O45 84.2(4) . . ?
O34 W003 O77 155.9(4) . . ?
O42 W003 O18 155.5(4) . . ?
O42 W003 O34 86.3(4) . . ?
O42 W003 O45 84.2(4) . . ?
O42 W003 O77 88.1(4) . . ?
O66 W003 O18 103.3(5) . . ?
O66 W003 O34 101.0(5) . . ?
O66 W003 O42 101.2(5) . . ?
O66 W003 O45 172.7(4) . . ?
O66 W003 O77 103.1(5) . . ?
O77 W003 O45 71.9(4) . . ?
O3 W004 O6B 88.9(4) . . ?
O3 W004 O27 86.0(5) . . ?
O3 W004 O57 84.2(4) . . ?
O3 W004 O91B 154.7(4) . . ?
O6B W004 O57 70.9(4) . . ?
O27 W004 O6B 154.9(4) . . ?
O27 W004 O57 84.1(4) . . ?
O27 W004 O91B 87.2(5) . . ?
O91A W004 O3 103.8(5) . . ?
O91A W004 O6B 101.0(5) . . ?
O91A W004 O27 104.2(5) . . ?
O91A W004 O57 168.7(5) . . ?
O91A W004 O91B 101.4(5) . . ?
O91B W004 O6B 86.9(4) . . ?
O91B W004 O57 70.9(4) . . ?
O2AA W005 O9 100.0(5) . . ?
O2AA W005 O21 103.6(6) . . ?
O2AA W005 O28 169.5(5) . . ?
O2AA W005 O30 101.6(6) . . ?
O2AA W005 O71 104.3(5) . . ?
O9 W005 O28 71.8(4) . . ?
O21 W005 O9 87.3(5) . . ?
O21 W005 O28 83.0(4) . . ?
O30 W005 O9 86.2(5) . . ?
O30 W005 O21 154.8(4) . . ?
O30 W005 O28 71.8(4) . . ?
O30 W005 O71 89.8(5) . . ?
O71 W005 O9 155.7(4) . . ?
O71 W005 O21 86.1(5) . . ?
O71 W005 O28 84.2(4) . . ?
O3 W006 O5 88.6(5) . . ?
O3 W006 O14 83.5(4) . . ?
O3 W006 O62 155.9(4) . . ?
O4 W006 O3 103.8(5) . . ?
O4 W006 O5 100.7(5) . . ?
O4 W006 O14 169.7(5) . . ?
O4 W006 O62 100.2(5) . . ?
O4 W006 O100 103.8(5) . . ?
O5 W006 O14 71.9(4) . . ?
O62 W006 O5 86.5(5) . . ?
O62 W006 O14 72.5(4) . . ?
O100 W006 O3 84.6(4) . . ?
O100 W006 O5 155.5(4) . . ?
O100 W006 O14 83.9(4) . . ?
O100 W006 O62 90.2(4) . . ?
O15 W007 O24 154.1(4) . . ?
O15 W007 O57 83.8(4) . . ?
O15 W007 O71 86.2(4) . . ?
O15 W007 O91B 88.4(5) . . ?
O24 W007 O57 70.6(4) . . ?
O50 W007 O15 103.8(5) . . ?
O50 W007 O24 102.1(5) . . ?
O50 W007 O57 169.0(4) . . ?
O50 W007 O71 104.6(5) . . ?
O50 W007 O91B 100.3(5) . . ?
O71 W007 O24 87.3(4) . . ?
O71 W007 O57 83.7(4) . . ?
O71 W007 O91B 155.0(4) . . ?
O91B W007 O24 87.0(4) . . ?
O91B W007 O57 71.5(4) . . ?
O11 W008 O14 71.9(4) . . ?
O11 W008 O62 87.2(4) . . ?
O36 W008 O11 103.7(5) . . ?
O36 W008 O14 171.5(4) . . ?
O36 W008 O42 100.3(5) . . ?
O36 W008 O62 100.0(5) . . ?
O36 W008 O96 102.9(5) . . ?
O42 W008 O11 155.9(4) . . ?
O42 W008 O14 84.1(4) . . ?
O42 W008 O62 87.6(4) . . ?
O62 W008 O14 72.8(4) . . ?
O96 W008 O11 89.6(4) . . ?
O96 W008 O14 84.6(4) . . ?
O96 W008 O42 86.1(4) . . ?
O96 W008 O62 157.0(4) . . ?
O6A W009 O15 104.2(5) . . ?
O6A W009 O18 101.9(5) . . ?
O6A W009 O21 104.6(5) . . ?
O6A W009 O45 169.6(5) . . ?
O6A W009 O54 101.1(5) . . ?
O15 W009 O18 153.8(4) . . ?
O15 W009 O45 83.0(4) . . ?
O15 W009 O54 86.6(5) . . ?
O18 W009 O45 70.8(4) . . ?
O18 W009 O54 86.1(5) . . ?
O21 W009 O15 87.2(4) . . ?
O21 W009 O18 88.6(5) . . ?
O21 W009 O45 83.1(4) . . ?
O21 W009 O54 154.3(4) . . ?
O54 W009 O45 71.5(4) . . ?
O28 P2 O14 108.9(5) . . ?
O28 P2 O45 108.9(5) . . ?
O28 P2 O57 109.3(5) . . ?
O45 P2 O14 109.1(5) . . ?
O57 P2 O14 109.8(5) . . ?
O57 P2 O45 110.7(5) . . ?
W00C O1AA W001 150.1(5) . . ?
W004 O3 W006 151.8(6) . . ?
W001 O5 W006 126.5(5) . . ?
W00A O6B W004 127.6(6) . . ?
W002 O9 W005 127.4(5) . . ?
W008 O11 W001 127.0(5) . . ?
W006 O14 W001 89.4(3) . . ?
W008 O14 W001 89.7(3) . . ?
W008 O14 W006 89.3(3) . . ?
P2 O14 W001 125.8(5) . . ?
P2 O14 W006 125.5(5) . . ?
P2 O14 W008 125.6(5) . . ?
W007 O15 W009 151.0(6) . . ?
W003 O18 W009 128.2(5) . . ?
W001 O19 W00A 150.6(6) . . ?
W009 O21 W005 150.9(6) . . ?
W00A O24 W007 128.5(6) . . ?
W004 O27 W00B 150.8(6) . . ?
W00C O28 W002 89.1(3) . . ?
W00C O28 W005 89.3(3) . . ?
W005 O28 W002 88.8(3) . . ?
P2 O28 W00C 126.3(5) . . ?
P2 O28 W002 126.1(5) . . ?
P2 O28 W005 125.5(5) . . ?
W00A O29 W00C 152.3(6) . . ?
W005 O30 W00C 127.4(5) . . ?
W002 O34 W003 150.7(5) . . ?
W003 O42 W008 150.3(6) . . ?
W00B O45 W009 88.9(3) . . ?
W003 O45 W00B 89.7(3) . . ?
W003 O45 W009 89.5(3) . . ?
P2 O45 W00B 125.0(5) . . ?
P2 O45 W003 126.8(5) . . ?
P2 O45 W009 125.4(5) . . ?
W002 O49 W00C 127.4(5) . . ?
W00B O54 W009 127.2(5) . . ?
W00A O57 W004 89.8(3) . . ?
W00A O57 W007 89.8(3) . . ?
W007 O57 W004 89.3(3) . . ?
P2 O57 W00A 126.0(5) . . ?
P2 O57 W004 124.7(5) . . ?
P2 O57 W007 125.8(5) . . ?
W008 O62 W006 125.3(5) . . ?
W005 O71 W007 151.2(6) . . ?
W00B O77 W003 126.5(6) . . ?
W004 O91B W007 128.2(5) . . ?
W008 O96 W002 151.5(5) . . ?
W006 O100 W00B 152.4(6) . . ?
O93 Cu2 O93 91.1(4) 8_656 . ?
O93 Cu2 O93 91.1(4) 8_656 11_566 ?
O93 Cu2 O93 91.1(4) 11_566 . ?
O93 Cu2 O217 175.0(5) . . ?
O93 Cu2 O217 85.0(5) . 11_566 ?
O93 Cu2 O217 175.0(5) 11_566 11_566 ?
O93 Cu2 O217 175.0(5) 8_656 8_656 ?
O93 Cu2 O217 92.1(5) 11_566 . ?
O93 Cu2 O217 85.0(5) 11_566 8_656 ?
O93 Cu2 O217 85.0(5) 8_656 . ?
O93 Cu2 O217 92.1(5) . 8_656 ?
O93 Cu2 O217 92.1(5) 8_656 11_566 ?
O217 Cu2 O217 92.0(6) . 11_566 ?
O217 Cu2 O217 92.0(6) 8_656 11_566 ?
O217 Cu2 O217 92.0(6) . 8_656 ?
C17 O1 C209 113.2(16) . . ?
C35 O2 C213 112.9(14) . . ?
C24A O21A C28 108(2) . . ?
O21A C24A H24A 108.7 . . ?
O21A C24A C25A 115(2) . . ?
C25A C24A H24A 108.7 . . ?
O90 C24A O21A 111(2) . . ?
O90 C24A H24A 108.7 . . ?
O90 C24A C25A 104(2) . . ?
O14A C25A C24A 111(2) . . ?
O14A C25A H25A 107.7 . . ?
O14A C25A C26A 114(2) . . ?
C24A C25A H25A 107.7 . . ?
C24A C25A C26A 109(2) . . ?
C26A C25A H25A 107.7 . . ?
O15A C26A C25A 110(2) . . ?
O15A C26A H26A 108.4 . . ?
O15A C26A C39A 114(2) . . ?
C25A C26A H26A 108.4 . . ?
C39A C26A C25A 108(2) . . ?
C39A C26A H26A 108.4 . . ?
C26A C39A H39A 108.8 . . ?
C26A C39A O101 104(2) . . ?
O101 C39A H39A 108.8 . . ?
C28 C39A C26A 111(3) . . ?
C28 C39A H39A 108.8 . . ?
C28 C39A O101 115(3) . . ?
C24B O21B C28 108(3) . . ?
O21B C24B H24B 103.1 . . ?
O21B C24B C25B 118(3) . . ?
O21B C24B O90 101(3) . . ?
C25B C24B H24B 103.1 . . ?
C25B C24B O90 126(3) . . ?
O90 C24B H24B 103.1 . . ?
O14B C25B C24B 110(3) . . ?
O14B C25B H25B 108.9 . . ?
O14B C25B C26B 112(3) . . ?
C24B C25B H25B 108.9 . . ?
C24B C25B C26B 108(3) . . ?
C26B C25B H25B 108.9 . . ?
O15B C26B C25B 113(3) . . ?
O15B C26B H26B 107.4 . . ?
O15B C26B C39B 114(3) . . ?
C25B C26B H26B 107.4 . . ?
C39B C26B C25B 107(2) . . ?
C39B C26B H26B 107.4 . . ?
C26B C39B H39B 114.8 . . ?
C26B C39B C28 109(3) . . ?
O101 C39B C26B 109(3) . . ?
O101 C39B H39B 114.8 . . ?
O101 C39B C28 92(3) . . ?
C28 C39B H39B 114.8 . . ?
C24A O90 C21 112.2(19) . . ?
C21 O90 C24B 129.8(17) . . ?
C35 O92 C31 117.4(13) . . ?
C7 O94 C11 114.6(13) . . ?
C6 O95 C187 117.0(11) . . ?
C13 O97 C183 115.3(13) . . ?
C13 O97 Na1 111.1(12) . . ?
C183 O97 Na1 132.8(12) . . ?
C185 O98 C184 115.6(15) . . ?
C206 O99 C32 112.8(14) . . ?
O99 C206 H206 108.1 . . ?
O99 C206 C29 116.0(19) . . ?
O99 C206 O101 107.1(17) . . ?
C29 C206 H206 108.1 . . ?
O101 C206 H206 108.1 . . ?
O101 C206 C29 109.2(16) . . ?
O138 C29 C206 110(2) . . ?
O138 C29 H29 106.9 . . ?
O138 C29 C30 115.6(17) . . ?
C206 C29 H29 106.9 . . ?
C206 C29 C30 109.7(15) . . ?
C30 C29 H29 106.9 . . ?
O114 C30 C29 110.4(15) . . ?
O114 C30 H30 109.0 . . ?
O114 C30 C31 109.1(14) . . ?
C29 C30 H30 109.0 . . ?
C31 C30 C29 110.4(16) . . ?
C31 C30 H30 109.0 . . ?
O92 C31 C30 106.0(14) . . ?
O92 C31 H31 109.7 . . ?
O92 C31 C32 110.8(13) . . ?
C30 C31 H31 109.7 . . ?
C30 C31 C32 110.9(15) . . ?
C32 C31 H31 109.7 . . ?
C39B O101 C206 108(3) . . ?
C206 O101 C39A 120.5(16) . . ?
C6 O105 C4 115.1(12) . . ?
C7 O106 C3 117.3(12) . . ?
C13 O107 C10 113.8(12) . . ?
C12 O116 Na1 110.3(16) . . ?
C20 O131 C185 113.8(15) . . ?
C5 O155 Na1 132.6(17) . 4_566 ?
C209 O210 C40 116.1(16) . . ?
O154 C1 H1 108.2 . . ?
O154 C1 C2 113.0(15) . . ?
O154 C1 C6 107.7(17) . . ?
C2 C1 H1 108.2 . . ?
C2 C1 C6 111.5(14) . . ?
C6 C1 H1 108.2 . . ?
O10 C2 C1 107.8(16) . . ?
O10 C2 H2 108.9 . . ?
O10 C2 C3 111.0(16) . . ?
C1 C2 H2 108.9 . . ?
C1 C2 C3 111.4(14) . . ?
C3 C2 H2 108.9 . . ?
O106 C3 C2 109.6(13) . . ?
O106 C3 H3 108.5 . . ?
O106 C3 C4 112.9(14) . . ?
C2 C3 H3 108.5 . . ?
C4 C3 C2 108.7(15) . . ?
C4 C3 H3 108.5 . . ?
O105 C4 C3 108.4(13) . . ?
O105 C4 H4 109.9 . . ?
O105 C4 C5 102.2(15) . . ?
C3 C4 H4 109.9 . . ?
C3 C4 C5 116.3(16) . . ?
C5 C4 H4 109.9 . . ?
O155 C5 C4 114(2) . . ?
O155 C5 H5A 108.7 . . ?
O155 C5 H5B 108.7 . . ?
C4 C5 H5A 108.7 . . ?
C4 C5 H5B 108.7 . . ?
H5A C5 H5B 107.6 . . ?
O95 C6 C1 110.2(14) . . ?
O95 C6 H6 108.2 . . ?
O105 C6 O95 111.1(11) . . ?
O105 C6 C1 110.7(15) . . ?
O105 C6 H6 108.2 . . ?
C1 C6 H6 108.2 . . ?
O94 C7 O106 112.6(15) . . ?
O94 C7 H7 109.4 . . ?
O94 C7 C8 111.1(16) . . ?
O106 C7 H7 109.4 . . ?
O106 C7 C8 105.0(14) . . ?
C8 C7 H7 109.4 . . ?
O149 C8 C7 113.7(18) . . ?
O149 C8 H8 107.3 . . ?
O149 C8 C9 109.9(17) . . ?
C7 C8 H8 107.3 . . ?
C7 C8 C9 111.1(16) . . ?
C9 C8 H8 107.3 . . ?
O152 C9 C8 111.4(16) . . ?
O152 C9 H9 109.6 . . ?
O152 C9 C10 109.4(15) . . ?
C8 C9 H9 109.6 . . ?
C10 C9 C8 107.3(15) . . ?
C10 C9 H9 109.6 . . ?
O107 C10 H10 110.5 . . ?
O107 C10 C11 106.2(14) . . ?
C9 C10 O107 105.7(13) . . ?
C9 C10 H10 110.5 . . ?
C9 C10 C11 113.1(15) . . ?
C11 C10 H10 110.5 . . ?
O94 C11 C10 105.7(16) . . ?
O94 C11 H11 108.4 . . ?
O94 C11 C12 109.2(13) . . ?
C10 C11 H11 108.4 . . ?
C12 C11 C10 116.5(15) . . ?
C12 C11 H11 108.4 . . ?
O116 C12 C11 109.8(18) . . ?
O116 C12 H12A 109.7 . . ?
O116 C12 H12B 109.7 . . ?
C11 C12 H12A 109.7 . . ?
C11 C12 H12B 109.7 . . ?
H12A C12 H12B 108.2 . . ?
O97 C13 O107 110.2(14) . . ?
O97 C13 H13 110.5 . . ?
O97 C13 C14 110.3(15) . . ?
O107 C13 H13 110.5 . . ?
O107 C13 C14 104.8(12) . . ?
C14 C13 H13 110.5 . . ?
O115 C14 C13 112.3(17) . . ?
O115 C14 H14 106.2 . . ?
O115 C14 C15 111.4(15) . . ?
C13 C14 H14 106.2 . . ?
C15 C14 C13 113.8(16) . . ?
C15 C14 H14 106.2 . . ?
O164 C15 C14 112.7(19) . . ?
O164 C15 H15 108.5 . . ?
O164 C15 C184 109.1(15) . . ?
C14 C15 H15 108.5 . . ?
C184 C15 C14 109.6(14) . . ?
C184 C15 H15 108.5 . . ?
O117 C16 H16 109.6 . . ?
O117 C16 C17 106.2(19) . . ?
C17 C16 H16 109.6 . . ?
C18 C16 O117 108.5(17) . . ?
C18 C16 H16 109.6 . . ?
C18 C16 C17 113.2(17) . . ?
O1 C17 C16 112.3(15) . . ?
O1 C17 H17 109.4 . . ?
O1 C17 C20 112.8(16) . . ?
C16 C17 H17 109.4 . . ?
C16 C17 C20 103.3(18) . . ?
C20 C17 H17 109.4 . . ?
O133 C18 H18 108.9 . . ?
O133 C18 C185 103(2) . . ?
C16 C18 O133 115.8(17) . . ?
C16 C18 H18 108.9 . . ?
C16 C18 C185 110.6(17) . . ?
C185 C18 H18 108.9 . . ?
O147 C19 H19A 109.4 . . ?
O147 C19 H19B 109.4 . . ?
O147 C19 C20 111(2) . . ?
H19A C19 H19B 108.0 . . ?
C20 C19 H19A 109.4 . . ?
C20 C19 H19B 109.4 . . ?
O131 C20 C17 107.1(16) . . ?
O131 C20 C19 106.6(16) . . ?
O131 C20 H20 111.3 . . ?
C17 C20 H20 111.3 . . ?
C19 C20 C17 109.2(19) . . ?
C19 C20 H20 111.3 . . ?
O90 C21 H21 110.0 . . ?
O90 C21 C23 108.2(19) . . ?
O90 C21 C40 108.3(19) . . ?
C23 C21 H21 110.0 . . ?
C23 C21 C40 110(2) . . ?
C40 C21 H21 110.0 . . ?
O6 C23 C21 108(2) . . ?
O6 C23 H23 107.8 . . ?
O6 C23 C182 113.4(15) . . ?
C21 C23 H23 107.8 . . ?
C21 C23 C182 111.9(18) . . ?
C182 C23 H23 107.8 . . ?
C39A C28 O21A 116(3) . . ?
C39A C28 C34 114(3) . . ?
O21B C28 C39B 91(2) . . ?
C34 C28 O21A 98(3) . . ?
C34 C28 O21B 105(3) . . ?
C34 C28 C39B 110(3) . . ?
O99 C32 C31 108.8(15) . . ?
O99 C32 H32 109.0 . . ?
O99 C32 C33 107.2(17) . . ?
C31 C32 H32 109.0 . . ?
C33 C32 C31 113.8(15) . . ?
C33 C32 H32 109.0 . . ?
O113 C33 C32 112.9(18) . . ?
O113 C33 H33A 109.0 . . ?
O113 C33 H33B 109.0 . . ?
C32 C33 H33A 109.0 . . ?
C32 C33 H33B 109.0 . . ?
H33A C33 H33B 107.8 . . ?
O173 C34 C28 116(4) . . ?
O173 C34 H34A 108.4 . . ?
O173 C34 H34B 108.4 . . ?
C28 C34 H34A 108.4 . . ?
C28 C34 H34B 108.4 . . ?
H34A C34 H34B 107.5 . . ?
O2 C35 O92 114.8(14) . . ?
O2 C35 H35 108.6 . . ?
O2 C35 C36 109.0(18) . . ?
O92 C35 H35 108.6 . . ?
O92 C35 C36 106.9(16) . . ?
C36 C35 H35 108.6 . . ?
O121 C36 C35 112(2) . . ?
O121 C36 H36 107.7 . . ?
O121 C36 C37 111(2) . . ?
C35 C36 H36 107.7 . . ?
C37 C36 C35 110.9(15) . . ?
C37 C36 H36 107.7 . . ?
O212 C37 C36 109.3(15) . . ?
O212 C37 H37 109.3 . . ?
O212 C37 C187 109.8(16) . . ?
C36 C37 H37 109.3 . . ?
C36 C37 C187 109.9(17) . . ?
C187 C37 H37 109.3 . . ?
O210 C40 C21 109.8(17) . . ?
O210 C40 H40 108.2 . . ?
C21 C40 H40 108.2 . . ?
C41 C40 O210 105(3) . . ?
C41 C40 C21 117(3) . . ?
C41 C40 H40 108.2 . . ?
O148 C41 H41A 108.5 . . ?
O148 C41 H41B 108.5 . . ?
C40 C41 O148 115(3) . . ?
C40 C41 H41A 108.5 . . ?
C40 C41 H41B 108.5 . . ?
H41A C41 H41B 107.5 . . ?
O102 C182 C23 110.0(16) . . ?
O102 C182 H182 106.9 . . ?
O102 C182 C209 112(2) . . ?
C23 C182 H182 106.9 . . ?
C209 C182 C23 113.8(17) . . ?
C209 C182 H182 106.9 . . ?
O97 C183 H183 109.5 . . ?
O97 C183 C184 107.7(16) . . ?
O97 C183 C208 108.7(16) . . ?
C184 C183 H183 109.5 . . ?
C184 C183 C208 112.0(16) . . ?
C208 C183 H183 109.5 . . ?
O98 C184 C15 107.9(14) . . ?
O98 C184 C183 111.7(17) . . ?
O98 C184 H184 108.3 . . ?
C15 C184 C183 112.3(15) . . ?
C15 C184 H184 108.3 . . ?
C183 C184 H184 108.3 . . ?
O98 C185 O131 109.1(17) . . ?
O98 C185 C18 110.9(14) . . ?
O98 C185 H185 110.5 . . ?
O131 C185 C18 105(2) . . ?
O131 C185 H185 110.5 . . ?
C18 C185 H185 110.5 . . ?
O95 C187 C37 106.1(13) . . ?
O95 C187 H187 109.7 . . ?
C37 C187 H187 109.7 . . ?
C213 C187 O95 110.6(12) . . ?
C213 C187 C37 111.2(16) . . ?
C213 C187 H187 109.7 . . ?
O166 C208 C183 110.4(18) . . ?
O166 C208 H20A 109.6 . . ?
O166 C208 H20B 109.6 . . ?
C183 C208 H20A 109.6 . . ?
C183 C208 H20B 109.6 . . ?
H20A C208 H20B 108.1 . . ?
O1 C209 O210 108.7(15) . . ?
O1 C209 C182 106.6(16) . . ?
O1 C209 H209 109.9 . . ?
O210 C209 C182 112(2) . . ?
O210 C209 H209 109.9 . . ?
C182 C209 H209 109.9 . . ?
O2 C213 H213 110.5 . . ?
O2 C213 C214 102.0(14) . . ?
C187 C213 O2 109.6(14) . . ?
C187 C213 H213 110.5 . . ?
C187 C213 C214 113.4(16) . . ?
C214 C213 H213 110.5 . . ?
O144 C214 C213 115.0(17) . . ?
O144 C214 H21A 108.5 . . ?
O144 C214 H21B 108.5 . . ?
C213 C214 H21A 108.5 . . ?
C213 C214 H21B 108.5 . . ?
H21A C214 H21B 107.5 . . ?
O116 Na1 O97 75.2(10) . . ?
O155 Na1 O97 146.3(15) 4_566 . ?
O155 Na1 O116 126.6(15) 4_566 . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O0AA W001 O19 W00A 136.8(12) . . . . ?
O1AA W001 O19 W00A 34.3(12) . . . . ?
O2AA W005 O30 W00C -168.5(7) . . . . ?
O2AA W005 O71 W007 132.2(12) . . . . ?
O3 W004 O27 W00B -29.0(12) . . . . ?
O3 W006 O100 W00B 28.9(13) . . . . ?
O4 W006 O100 W00B 131.8(13) . . . . ?
O5 W001 O19 W00A -121.9(13) . . . . ?
O5 W006 O100 W00B -46(2) . . . . ?
O6A W009 O21 W005 127.7(13) . . . . ?
O6B W00A O24 W007 -67.8(7) . . . . ?
O6B W00A O29 W00C -41.7(19) . . . . ?
O6B W004 O3 W006 -126.2(14) . . . . ?
O6B W004 O27 W00B 49.9(18) . . . . ?
O7 W002 O34 W003 132.0(11) . . . . ?
O7 W002 O96 W008 -130.0(12) . . . . ?
O8 W00C O1AA W001 133.8(12) . . . . ?
O9 W002 O34 W003 -125.5(12) . . . . ?
O9 W002 O96 W008 52.5(18) . . . . ?
O9 W005 O30 W00C -69.0(7) . . . . ?
O9 W005 O71 W007 -45.5(19) . . . . ?
O11 W001 O19 W00A -37(2) . . . . ?
O11 W008 O96 W002 -127.8(12) . . . . ?
O14 W001 O19 W00A -49.9(12) . . . . ?
O14 W006 O100 W00B -55.2(13) . . . . ?
O14 W008 O96 W002 -55.9(12) . . . . ?
O14 P2 O28 W00C -59.6(7) . . . . ?
O14 P2 O28 W002 61.0(7) . . . . ?
O14 P2 O28 W005 -179.8(5) . . . . ?
O14 P2 O45 W00B 62.2(7) . . . . ?
O14 P2 O45 W003 -58.7(7) . . . . ?
O14 P2 O45 W009 -179.9(6) . . . . ?
O14 P2 O57 W00A 60.0(7) . . . . ?
O14 P2 O57 W004 -60.0(7) . . . . ?
O14 P2 O57 W007 -178.7(5) . . . . ?
O15 W009 O21 W005 23.7(13) . . . . ?
O18 W003 O34 W002 126.0(12) . . . . ?
O18 W003 O42 W008 -48.6(18) . . . . ?
O18 W009 O21 W005 -130.4(13) . . . . ?
O19 W00A O24 W007 10.7(15) . . . . ?
O19 W00A O29 W00C 31.5(13) . . . . ?
O21 W005 O30 W00C 6.5(15) . . . . ?
O21 W005 O71 W007 29.2(12) . . . . ?
O24 W00A O29 W00C -125.0(13) . . . . ?
O24 W007 O15 W009 -51.1(18) . . . . ?
O27 W00B O54 W009 86.8(8) . . . . ?
O27 W00B O100 W006 -29.2(13) . . . . ?
O27 W004 O3 W006 29.2(14) . . . . ?
O28 W00C O1AA W001 -53.4(11) . . . . ?
O28 W002 O34 W003 -53.7(11) . . . . ?
O28 W002 O96 W008 56.2(12) . . . . ?
O28 W005 O30 W00C 3.1(6) . . . . ?
O28 W005 O71 W007 -54.2(12) . . . . ?
O28 P2 O14 W001 61.3(7) . . . . ?
O28 P2 O14 W006 -178.8(5) . . . . ?
O28 P2 O14 W008 -59.3(7) . . . . ?
O28 P2 O45 W00B -179.0(5) . . . . ?
O28 P2 O45 W003 60.1(7) . . . . ?
O28 P2 O45 W009 -61.1(7) . . . . ?
O28 P2 O57 W00A -59.5(7) . . . . ?
O28 P2 O57 W004 -179.4(6) . . . . ?
O28 P2 O57 W007 61.8(7) . . . . ?
O29 W00A O24 W007 87.2(7) . . . . ?
O29 W00C O1AA W001 30.3(12) . . . . ?
O30 W00C O1AA W001 -44.3(19) . . . . ?
O30 W005 O71 W007 -125.9(12) . . . . ?
O34 W002 O96 W008 -28.8(12) . . . . ?
O34 W003 O42 W008 29.1(12) . . . . ?
O36 W008 O96 W002 128.2(12) . . . . ?
O42 W003 O34 W002 -30.1(11) . . . . ?
O42 W008 O96 W002 28.5(12) . . . . ?
O45 W00B O54 W009 2.1(6) . . . . ?
O45 W00B O100 W006 56.3(13) . . . . ?
O45 W003 O34 W002 54.5(11) . . . . ?
O45 W003 O42 W008 -55.5(12) . . . . ?
O45 W009 O21 W005 -59.5(13) . . . . ?
O45 P2 O14 W001 -179.9(6) . . . . ?
O45 P2 O14 W006 -60.0(7) . . . . ?
O45 P2 O14 W008 59.5(7) . . . . ?
O45 P2 O28 W00C -178.5(5) . . . . ?
O45 P2 O28 W002 -57.9(7) . . . . ?
O45 P2 O28 W005 61.3(7) . . . . ?
O45 P2 O57 W00A -179.5(5) . . . . ?
O45 P2 O57 W004 60.6(7) . . . . ?
O45 P2 O57 W007 -58.2(7) . . . . ?
O49 W00C O1AA W001 -125.3(12) . . . . ?
O49 W002 O34 W003 -46.2(18) . . . . ?
O49 W002 O96 W008 127.9(12) . . . . ?
O50 W007 O15 W009 128.9(12) . . . . ?
O52 W00A O24 W007 -168.8(7) . . . . ?
O52 W00A O29 W00C 134.1(13) . . . . ?
O54 W00B O100 W006 51(2) . . . . ?
O54 W009 O21 W005 -52.5(19) . . . . ?
O57 W00A O24 W007 3.6(6) . . . . ?
O57 W00A O29 W00C -54.1(13) . . . . ?
O57 W004 O3 W006 -55.3(14) . . . . ?
O57 W004 O27 W00B 55.6(12) . . . . ?
O57 W007 O15 W009 -59.2(12) . . . . ?
O57 P2 O14 W001 -58.4(7) . . . . ?
O57 P2 O14 W006 61.5(7) . . . . ?
O57 P2 O14 W008 -179.0(5) . . . . ?
O57 P2 O28 W00C 60.5(7) . . . . ?
O57 P2 O28 W002 -178.9(6) . . . . ?
O57 P2 O28 W005 -59.8(7) . . . . ?
O57 P2 O45 W00B -58.8(7) . . . . ?
O57 P2 O45 W003 -179.7(5) . . . . ?
O57 P2 O45 W009 59.1(7) . . . . ?
O62 W006 O100 W00B -127.6(13) . . . . ?
O62 W008 O96 W002 -45.8(19) . . . . ?
O66 W003 O34 W002 -130.8(12) . . . . ?
O66 W003 O42 W008 129.5(12) . . . . ?
O71 W005 O30 W00C 87.0(7) . . . . ?
O71 W007 O15 W009 24.8(12) . . . . ?
O77 W00B O54 W009 -69.4(8) . . . . ?
O77 W00B O100 W006 128.2(13) . . . . ?
O77 W003 O34 W002 46.8(18) . . . . ?
O77 W003 O42 W008 -127.5(12) . . . . ?
O91A W004 O3 W006 132.8(14) . . . . ?
O91A W004 O27 W00B -132.3(12) . . . . ?
O91B W004 O3 W006 -46(2) . . . . ?
O91B W004 O27 W00B 126.7(12) . . . . ?
O91B W007 O15 W009 -130.8(13) . . . . ?
O96 W002 O34 W003 29.7(11) . . . . ?
O100 W00B O54 W009 7.9(17) . . . . ?
O216 W00B O54 W009 -170.0(8) . . . . ?
O216 W00B O100 W006 -131.4(13) . . . . ?
O1 C17 C20 O131 174.6(16) . . . . ?
O1 C17 C20 C19 60(2) . . . . ?
O2 C35 C36 O121 179.0(14) . . . . ?
O2 C35 C36 C37 55(2) . . . . ?
O2 C213 C214 O144 65(2) . . . . ?
O6 C23 C182 O102 61(2) . . . . ?
O6 C23 C182 C209 -172.8(18) . . . . ?
O10 C2 C3 O106 -58.8(18) . . . . ?
O10 C2 C3 C4 177.3(14) . . . . ?
O14A C25A C26A O15A 60(3) . . . . ?
O14A C25A C26A C39A -176(3) . . . . ?
O15A C26A C39A O101 -55(3) . . . . ?
O15A C26A C39A C28 -179(3) . . . . ?
O21A C24A C25A O14A 178(3) . . . . ?
O21A C24A C25A C26A 52(3) . . . . ?
O21A C24A O90 C21 100(3) . . . . ?
O21A C28 C34 O173 -74(4) . . . . ?
C24A O21A C28 C39A 56(4) . . . . ?
C24A O21A C28 C34 178(3) . . . . ?
C24A C25A C26A O15A -176(2) . . . . ?
C24A C25A C26A C39A -51(3) . . . . ?
C24A O90 C21 C23 132(2) . . . . ?
C24A O90 C21 C40 -108(2) . . . . ?
C25A C24A O90 C21 -135(2) . . . . ?
C25A C26A C39A O101 -177(2) . . . . ?
C25A C26A C39A C28 59(3) . . . . ?
C26A C39A O101 C206 134(2) . . . . ?
C26A C39A C28 O21A -62(3) . . . . ?
C26A C39A C28 C34 -175(3) . . . . ?
C39A C28 C34 O173 50(5) . . . . ?
O14B C25B C26B O15B 60(4) . . . . ?
O14B C25B C26B C39B -174(4) . . . . ?
O15B C26B C39B O101 -71(5) . . . . ?
O15B C26B C39B C28 -171(3) . . . . ?
O21B C24B C25B O14B -179(3) . . . . ?
O21B C24B C25B C26B 59(4) . . . . ?
O21B C24B O90 C21 96(3) . . . . ?
O21B C28 C34 O173 -46(5) . . . . ?
C24B O21B C28 C39B 70(3) . . . . ?
C24B O21B C28 C34 -179(3) . . . . ?
C24B C25B C26B O15B -179(3) . . . . ?
C24B C25B C26B C39B -53(4) . . . . ?
C24B O90 C21 C23 115(2) . . . . ?
C24B O90 C21 C40 -126(2) . . . . ?
C25B C24B O90 C21 -127(3) . . . . ?
C25B C26B C39B O101 163(4) . . . . ?
C25B C26B C39B C28 63(4) . . . . ?
C26B C39B O101 C206 131(3) . . . . ?
C39B C28 C34 O173 51(5) . . . . ?
O90 C24A C25A O14A 56(3) . . . . ?
O90 C24A C25A C26A -70(3) . . . . ?
O90 C24B C25B O14B 51(4) . . . . ?
O90 C24B C25B C26B -72(3) . . . . ?
O90 C21 C23 O6 -66(2) . . . . ?
O90 C21 C23 C182 168.2(18) . . . . ?
O90 C21 C40 O210 -170.3(15) . . . . ?
O90 C21 C40 C41 70(3) . . . . ?
O92 C31 C32 O99 -178.4(12) . . . . ?
O92 C31 C32 C33 62.2(19) . . . . ?
O92 C35 C36 O121 54.3(19) . . . . ?
O92 C35 C36 C37 -70(2) . . . . ?
O94 C7 C8 O149 179.8(14) . . . . ?
O94 C7 C8 C9 55.2(19) . . . . ?
O94 C11 C12 O116 -67.4(18) . . . . ?
O95 C187 C213 O2 -176.0(11) . . . . ?
O95 C187 C213 C214 70.7(18) . . . . ?
O97 C13 C14 O115 177.2(14) . . . . ?
O97 C13 C14 C15 49.5(19) . . . . ?
O97 C183 C184 O98 -178.7(13) . . . . ?
O97 C183 C184 C15 -57.3(19) . . . . ?
O97 C183 C208 O166 67(2) . . . . ?
O138 C29 C30 O114 66(2) . . . . ?
O138 C29 C30 C31 -173.3(18) . . . . ?
O114 C30 C31 O92 -62.2(16) . . . . ?
O114 C30 C31 C32 177.5(14) . . . . ?
O99 C206 C29 O138 176.5(14) . . . . ?
O99 C206 C29 C30 48(2) . . . . ?
O99 C206 O101 C39A 102(2) . . . . ?
O99 C206 O101 C39B 125(2) . . . . ?
O99 C32 C33 O113 62(2) . . . . ?
C206 O99 C32 C31 59(2) . . . . ?
C206 O99 C32 C33 -177.2(18) . . . . ?
C206 C29 C30 O114 -168.5(16) . . . . ?
C206 C29 C30 C31 -48(2) . . . . ?
C29 C206 O101 C39A -132.2(19) . . . . ?
C29 C206 O101 C39B -108(2) . . . . ?
C29 C30 C31 O92 176.4(15) . . . . ?
C29 C30 C31 C32 56.0(19) . . . . ?
C30 C31 C32 O99 -60.9(17) . . . . ?
C30 C31 C32 C33 179.7(16) . . . . ?
C31 O92 C35 O2 102.7(18) . . . . ?
C31 O92 C35 C36 -136.2(15) . . . . ?
C31 C32 C33 O113 -177.6(18) . . . . ?
O101 C39A C28 O21A 180(2) . . . . ?
O101 C39A C28 C34 68(4) . . . . ?
O101 C206 C29 O138 55.5(18) . . . . ?
O101 C206 C29 C30 -73.0(19) . . . . ?
O102 C182 C209 O1 58(2) . . . . ?
O102 C182 C209 O210 176.4(15) . . . . ?
O105 C4 C5 O155 -55(2) . . . . ?
O106 C3 C4 O105 178.6(12) . . . . ?
O106 C3 C4 C5 64(2) . . . . ?
O106 C7 C8 O149 57.8(19) . . . . ?
O106 C7 C8 C9 -66.8(19) . . . . ?
O107 C10 C11 O94 -174.3(11) . . . . ?
O107 C10 C11 C12 64.3(18) . . . . ?
O107 C13 C14 O115 58.7(19) . . . . ?
O107 C13 C14 C15 -69.1(19) . . . . ?
O115 C14 C15 O164 64.6(18) . . . . ?
O115 C14 C15 C184 -173.8(14) . . . . ?
O117 C16 C17 O1 -57.5(17) . . . . ?
O117 C16 C17 C20 -179.4(14) . . . . ?
O117 C16 C18 O133 66(2) . . . . ?
O117 C16 C18 C185 -176.7(16) . . . . ?
O121 C36 C37 O212 63(2) . . . . ?
O121 C36 C37 C187 -176.6(16) . . . . ?
O133 C18 C185 O98 60(2) . . . . ?
O133 C18 C185 O131 177.4(13) . . . . ?
O147 C19 C20 O131 -63(2) . . . . ?
O147 C19 C20 C17 53(2) . . . . ?
O149 C8 C9 O152 61.3(19) . . . . ?
O149 C8 C9 C10 -179.0(14) . . . . ?
O152 C9 C10 O107 -66.6(17) . . . . ?
O152 C9 C10 C11 177.6(14) . . . . ?
O154 C1 C2 O10 65(2) . . . . ?
O154 C1 C2 C3 -173.3(16) . . . . ?
O154 C1 C6 O95 50.6(18) . . . . ?
O154 C1 C6 O105 174.0(13) . . . . ?
O164 C15 C184 O98 -62.6(19) . . . . ?
O164 C15 C184 C183 173.9(16) . . . . ?
O210 C40 C41 O148 60(3) . . . . ?
O212 C37 C187 O95 -64.0(16) . . . . ?
O212 C37 C187 C213 175.7(13) . . . . ?
C1 C2 C3 O106 -179.0(14) . . . . ?
C1 C2 C3 C4 57.2(19) . . . . ?
C2 C1 C6 O95 -73.9(19) . . . . ?
C2 C1 C6 O105 50(2) . . . . ?
C2 C3 C4 O105 -59.6(17) . . . . ?
C2 C3 C4 C5 -173.9(15) . . . . ?
C3 O106 C7 O94 102.5(17) . . . . ?
C3 O106 C7 C8 -136.6(16) . . . . ?
C3 C4 C5 O155 63(2) . . . . ?
C4 O105 C6 O95 67.0(18) . . . . ?
C4 O105 C6 C1 -55.8(17) . . . . ?
C6 O95 C187 C37 125.6(14) . . . . ?
C6 O95 C187 C213 -113.8(14) . . . . ?
C6 O105 C4 C3 61.6(18) . . . . ?
C6 O105 C4 C5 -175.1(14) . . . . ?
C6 C1 C2 O10 -173.8(15) . . . . ?
C6 C1 C2 C3 -52(2) . . . . ?
C7 O94 C11 C10 60.9(17) . . . . ?
C7 O94 C11 C12 -173.1(15) . . . . ?
C7 O106 C3 C2 122.5(16) . . . . ?
C7 O106 C3 C4 -116.2(17) . . . . ?
C7 C8 C9 O152 -172.0(15) . . . . ?
C7 C8 C9 C10 -52.3(19) . . . . ?
C8 C9 C10 O107 172.5(13) . . . . ?
C8 C9 C10 C11 56.7(18) . . . . ?
C9 C10 C11 O94 -58.9(16) . . . . ?
C9 C10 C11 C12 179.7(15) . . . . ?
C10 O107 C13 O97 111.5(16) . . . . ?
C10 O107 C13 C14 -129.9(15) . . . . ?
C10 C11 C12 O116 52(2) . . . . ?
C11 O94 C7 O106 56.6(19) . . . . ?
C11 O94 C7 C8 -60.8(18) . . . . ?
C13 O97 C183 C184 63.7(18) . . . . ?
C13 O97 C183 C208 -174.8(14) . . . . ?
C13 O107 C10 C9 135.4(14) . . . . ?
C13 O107 C10 C11 -104.2(14) . . . . ?
C13 C14 C15 O164 -167.2(14) . . . . ?
C13 C14 C15 C184 -45.6(19) . . . . ?
C14 C15 C184 O98 173.6(13) . . . . ?
C14 C15 C184 C183 50(2) . . . . ?
C16 C17 C20 O131 -63.8(19) . . . . ?
C16 C17 C20 C19 -178.9(16) . . . . ?
C16 C18 C185 O98 -65(3) . . . . ?
C16 C18 C185 O131 53(2) . . . . ?
C17 O1 C209 O210 102(2) . . . . ?
C17 O1 C209 C182 -138.0(19) . . . . ?
C17 C16 C18 O133 -176.2(15) . . . . ?
C17 C16 C18 C185 -59(2) . . . . ?
C18 C16 C17 O1 -176.4(15) . . . . ?
C18 C16 C17 C20 61.7(19) . . . . ?
C20 O131 C185 O98 58(2) . . . . ?
C20 O131 C185 C18 -61.2(19) . . . . ?
C21 C23 C182 O102 -177.1(17) . . . . ?
C21 C23 C182 C209 -50(3) . . . . ?
C21 C40 C41 O148 -178(3) . . . . ?
C23 C21 C40 O210 -52(2) . . . . ?
C23 C21 C40 C41 -172(2) . . . . ?
C23 C182 C209 O1 -68(3) . . . . ?
C23 C182 C209 O210 51(2) . . . . ?
C28 O21A C24A C25A -49(3) . . . . ?
C28 O21A C24A O90 69(3) . . . . ?
C28 C39A O101 C206 -104(3) . . . . ?
C28 O21B C24B C25B -78(4) . . . . ?
C28 O21B C24B O90 63(3) . . . . ?
C28 C39B O101 C206 -118(2) . . . . ?
C32 O99 C206 C29 -55(2) . . . . ?
C32 O99 C206 O101 67(2) . . . . ?
C35 O2 C213 C187 63.1(19) . . . . ?
C35 O2 C213 C214 -176.5(17) . . . . ?
C35 O92 C31 C30 130.1(15) . . . . ?
C35 O92 C31 C32 -109.5(16) . . . . ?
C35 C36 C37 O212 -172.4(15) . . . . ?
C35 C36 C37 C187 -52(2) . . . . ?
C36 C37 C187 O95 175.7(14) . . . . ?
C36 C37 C187 C213 55.5(18) . . . . ?
C37 C187 C213 O2 -58.4(16) . . . . ?
C37 C187 C213 C214 -171.7(16) . . . . ?
C40 O210 C209 O1 62(2) . . . . ?
C40 O210 C209 C182 -56(2) . . . . ?
C40 C21 C23 O6 175.3(17) . . . . ?
C40 C21 C23 C182 50(2) . . . . ?
C183 O97 C13 O107 55.5(17) . . . . ?
C183 O97 C13 C14 -59.7(18) . . . . ?
C184 O98 C185 O131 114.9(19) . . . . ?
C184 O98 C185 C18 -130(2) . . . . ?
C184 C183 C208 O166 -174(2) . . . . ?
C185 O98 C184 C15 131.8(16) . . . . ?
C185 O98 C184 C183 -104.3(18) . . . . ?
C185 O131 C20 C17 69(2) . . . . ?
C185 O131 C20 C19 -174.1(17) . . . . ?
C187 O95 C6 O105 106.9(14) . . . . ?
C187 O95 C6 C1 -130.0(14) . . . . ?
C187 C213 C214 O144 -177(2) . . . . ?
C208 C183 C184 O98 62(2) . . . . ?
C208 C183 C184 C15 -176.8(17) . . . . ?
C209 O1 C17 C16 120.3(16) . . . . ?
C209 O1 C17 C20 -123.4(17) . . . . ?
C209 O210 C40 C21 56(2) . . . . ?
C209 O210 C40 C41 -177.4(19) . . . . ?
C213 O2 C35 O92 61(2) . . . . ?
C213 O2 C35 C36 -59.1(18) . . . . ?
Na1 O97 C13 O107 -115.7(13) . . . . ?
Na1 O97 C13 C14 129.2(13) . . . . ?
Na1 O97 C183 C184 -127.6(15) . . . . ?
Na1 O97 C183 C208 -6(2) . . . . ?
Na1 O116 C12 C11 -134.2(15) . . . . ?
Na1 O155 C5 C4 -123(2) 4_566 . . . ?

_shelx_SHELXL_version_number     2014/7

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_a_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 1978775'
loop_
_audit_author_name
_audit_author_address
'Caihong Zhan'
;Zhejiang Normal University 
China
;
_audit_update_record             
;
2020-01-19 deposited with the CCDC.	2020-04-01 downloaded from the CCDC.
;
_audit_creation_date             2020-01-15
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.08.25 svn.r3337 for OlexSys, GUI svn.r5221)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'3(O40 P W12), Co1 O6, C144 H165 Na1 O120, 6(O)'
_chemical_formula_sum            'C144 H165 Co Na O252 P3 W36'
_chemical_formula_weight         12721.18
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      cubic
_space_group_IT_number           197
_space_group_name_H-M_alt        'I 2 3'
_space_group_name_Hall           'I 2 2 3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'z, x, y'
'y, z, x'
'-y, -z, x'
'x, -y, -z'
'-z, x, -y'
'z, -x, -y'
'-x, y, -z'
'-z, -x, y'
'y, -z, -x'
'-y, z, -x'
'-x, -y, z'
'x+1/2, y+1/2, z+1/2'
'z+1/2, x+1/2, y+1/2'
'y+1/2, z+1/2, x+1/2'
'-y+1/2, -z+1/2, x+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-z+1/2, x+1/2, -y+1/2'
'z+1/2, -x+1/2, -y+1/2'
'-x+1/2, y+1/2, -z+1/2'
'-z+1/2, -x+1/2, y+1/2'
'y+1/2, -z+1/2, -x+1/2'
'-y+1/2, z+1/2, -x+1/2'
'-x+1/2, -y+1/2, z+1/2'

_cell_length_a                   41.7665(8)
_cell_length_b                   41.7665(8)
_cell_length_c                   41.7665(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     72859(4)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9887
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.46
_cell_measurement_theta_min      2.39
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    11.473
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.3209
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            pink
_exptl_crystal_colour_primary    pink
_exptl_crystal_density_diffrn    2.319
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             46336
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0718
_diffrn_reflns_av_unetI/netI     0.0354
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       54
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       54
_diffrn_reflns_limit_k_min       -54
_diffrn_reflns_limit_l_max       47
_diffrn_reflns_limit_l_min       -53
_diffrn_reflns_number            316581
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.484
_diffrn_reflns_theta_min         2.069
_diffrn_ambient_temperature      120.01
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.920
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.999
_reflns_number_gt                25803
_reflns_number_total             27861
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SIR2004 (Burla et al., 2007)'
_refine_diff_density_max         3.182
_refine_diff_density_min         -1.421
_refine_diff_density_rms         0.225
_refine_ls_abs_structure_details 
;
 Flack x determined using 11587 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.014(3)
_refine_ls_extinction_coef       0.0000031(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1313
_refine_ls_number_reflns         27861
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0433
_refine_ls_R_factor_gt           0.0374
_refine_ls_restrained_S_all      1.046
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0558P)²+1339.6510P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0999
_refine_ls_wR_factor_ref         0.1043
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Ternary CH refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C6(H6), C7(H7), C8(H8), C9(H9), C10(H10),
 C11(H11), C13(H13), C14(H14), C15(H15), C16(H16), C17(H17), C18(H18), C20(H20),
  C21(H21), C23(H23), C24(H24), C25(H25), C26(H26), C28(H28), C29(H29),
 C30(H30), C31(H31), C32(H32), C35(H35), C36(H36), C37(H37), C39(H39), C40(H40),
  C182(H182), C183(H183), C184(H184), C185(H185), C187(H187), C206(H206),
 C209(H209), C213(H213)
2.b Secondary CH2 refined with riding coordinates:
 C5(H5A,H5B), C12(H12A,H12B), C19(H19A,H19B), C33(H33A,H33B), C41(H41A,H41B),
 C208(H20A,H20B), C214(H21A,H21B)
2.c Aromatic/amide H refined with riding coordinates:
 C34(H34)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
W001 W 0.23790(2) 0.26202(2) 0.58720(2) 0.02872(14) Uani 1 1 d . . . . .
W00A W 0.19711(2) 0.32217(2) 0.53758(2) 0.02483(13) Uani 1 1 d . . . . .
W00B W 0.19247(2) 0.19457(2) 0.46425(2) 0.02745(13) Uani 1 1 d . . . . .
W00C W 0.28502(2) 0.31705(2) 0.53697(2) 0.02866(14) Uani 1 1 d . . . . .
W002 W 0.32248(2) 0.25390(2) 0.49978(2) 0.02090(12) Uani 1 1 d . . . . .
W003 W 0.27460(2) 0.19000(2) 0.46369(2) 0.02421(13) Uani 1 1 d . . . . .
W004 W 0.15214(2) 0.26158(2) 0.50380(2) 0.02499(13) Uani 1 1 d . . . . .
W005 W 0.28270(2) 0.31042(2) 0.45499(2) 0.02523(13) Uani 1 1 d . . . . .
W006 W 0.19488(2) 0.20143(2) 0.55189(2) 0.02825(14) Uani 1 1 d . . . . .
W007 W 0.19473(2) 0.31331(2) 0.45575(2) 0.02521(13) Uani 1 1 d . . . . .
W008 W 0.27697(2) 0.19917(2) 0.55100(2) 0.02291(12) Uani 1 1 d . . . . .
W009 W 0.23610(2) 0.24599(2) 0.41732(2) 0.02940(14) Uani 1 1 d . . . . .
Co2 Co 0.25487(5) 0.25487(5) 0.25487(5) 0.0260(7) Uani 1 3 d S T P . .
P2 P 0.23704(8) 0.25614(7) 0.50205(7) 0.0126(6) Uani 1 1 d . . . . .
O1 O 0.2821(3) 0.1573(3) 0.3735(3) 0.042(3) Uani 1 1 d . . . . .
O2 O 0.3222(4) 0.1464(5) 0.6581(4) 0.074(6) Uani 1 1 d . . . . .
O3 O 0.1670(3) 0.2341(3) 0.5364(3) 0.035(3) Uani 1 1 d . . . . .
O4 O 0.1699(3) 0.1755(3) 0.5701(3) 0.038(3) Uani 1 1 d . . . . .
O5 O 0.2055(3) 0.2298(3) 0.5873(3) 0.039(3) Uani 1 1 d . . . . .
O6 O 0.1882(3) 0.1261(4) 0.3938(4) 0.053(4) Uani 1 1 d . . . . .
O7 O 0.3616(2) 0.2450(3) 0.4995(3) 0.033(2) Uani 1 1 d . . . . .
O6A O 0.2357(3) 0.2480(3) 0.3771(2) 0.037(3) Uani 1 1 d . . . . .
O6B O 0.1583(3) 0.2976(3) 0.5317(2) 0.032(2) Uani 1 1 d . . . . .
O8 O 0.3029(3) 0.3469(3) 0.5577(3) 0.040(3) Uani 1 1 d . . . . .
O9 O 0.3197(3) 0.2848(3) 0.4665(3) 0.032(2) Uani 1 1 d . . . . .
O10 O 0.3553(4) 0.3300(4) 0.6101(5) 0.069(5) Uani 1 1 d . . . . .
O11 O 0.2688(3) 0.2272(3) 0.5859(3) 0.034(3) Uani 1 1 d . . . . .
O14 O 0.2365(2) 0.2379(2) 0.5340(2) 0.023(2) Uani 1 1 d . . . . .
O15 O 0.2061(3) 0.2774(3) 0.4309(3) 0.032(2) Uani 1 1 d . . . . .
O18 O 0.2656(3) 0.2115(3) 0.4245(3) 0.036(3) Uani 1 1 d . . . . .
O19 O 0.2090(3) 0.2925(3) 0.5701(3) 0.032(2) Uani 1 1 d . . . . .
O21 O 0.2679(3) 0.2750(3) 0.4298(3) 0.032(2) Uani 1 1 d . . . . .
O24 O 0.1914(3) 0.3371(3) 0.4953(3) 0.038(3) Uani 1 1 d . . . . .
O27 O 0.1654(3) 0.2293(3) 0.4751(3) 0.034(3) Uani 1 1 d . . . . .
O28 O 0.2678(2) 0.2755(2) 0.4998(2) 0.0219(19) Uani 1 1 d . . . . .
O29 O 0.2412(3) 0.3302(3) 0.5344(3) 0.033(2) Uani 1 1 d . . . . .
O30 O 0.2907(3) 0.3332(3) 0.4936(3) 0.035(3) Uani 1 1 d . . . . .
O34 O 0.3055(3) 0.2222(3) 0.4724(2) 0.030(2) Uani 1 1 d . . . . .
O36 O 0.3010(3) 0.1710(3) 0.5671(3) 0.038(3) Uani 1 1 d . . . . .
O42 O 0.2729(3) 0.1833(2) 0.5084(2) 0.029(2) Uani 1 1 d . . . . .
O45 O 0.2360(3) 0.2324(3) 0.4743(2) 0.028(2) Uani 1 1 d . . . . .
O49 O 0.3213(3) 0.2898(3) 0.5283(3) 0.034(3) Uani 1 1 d . . . . .
O50 O 0.1789(3) 0.3392(3) 0.4288(3) 0.041(3) Uani 1 1 d . . . . .
O52 O 0.1834(3) 0.3538(3) 0.5586(3) 0.046(3) Uani 1 1 d . . . . .
O54 O 0.2029(3) 0.2152(3) 0.4245(3) 0.035(3) Uani 1 1 d . . . . .
O57 O 0.2081(2) 0.2785(2) 0.5007(3) 0.026(2) Uani 1 1 d . . . . .
O62 O 0.2353(3) 0.1808(3) 0.5599(3) 0.034(3) Uani 1 1 d . . . . .
O66 O 0.2981(3) 0.1591(3) 0.4517(3) 0.043(3) Uani 1 1 d . . . . .
O71 O 0.2391(3) 0.3229(3) 0.4565(3) 0.032(2) Uani 1 1 d . . . . .
O77 O 0.2323(3) 0.1717(3) 0.4605(3) 0.037(3) Uani 1 1 d . . . . .
O90 O 0.2256(4) 0.0988(3) 0.4411(4) 0.061(5) Uani 1 1 d . . . . .
O92 O 0.2726(3) 0.1470(4) 0.6331(3) 0.046(3) Uani 1 1 d . . . . .
O91A O 0.1118(3) 0.2578(3) 0.5056(3) 0.038(3) Uani 1 1 d . . . . .
O91B O 0.1569(3) 0.2912(3) 0.4692(3) 0.035(3) Uani 1 1 d . . . . .
O93 O 0.2474(3) 0.2625(3) 0.3043(3) 0.031(2) Uani 1 1 d . . . . .
O94 O 0.4382(3) 0.3052(4) 0.5338(4) 0.060(4) Uani 1 1 d . . . . .
O95 O 0.3407(3) 0.2294(3) 0.6334(3) 0.037(3) Uani 1 1 d . . . . .
O96 O 0.3068(3) 0.2288(3) 0.5341(2) 0.028(2) Uani 1 1 d . . . . .
O97 O 0.4253(3) 0.2778(4) 0.4176(4) 0.052(4) Uani 1 1 d . . . . .
O98 O 0.3544(3) 0.2411(4) 0.3802(3) 0.048(3) Uani 1 1 d . . . . .
O99 O 0.2566(4) 0.0714(4) 0.5902(4) 0.060(4) Uani 1 1 d . . . . .
O100 O 0.1953(3) 0.1874(3) 0.5090(3) 0.033(2) Uani 1 1 d . . . . .
O101 O 0.2243(4) 0.0943(3) 0.5509(4) 0.056(4) Uani 1 1 d . . . . .
O102 O 0.2247(3) 0.1605(4) 0.3442(4) 0.057(4) Uani 1 1 d . . . . .
O105 O 0.3949(3) 0.2408(3) 0.6272(3) 0.042(3) Uani 1 1 d . . . . .
O106 O 0.3896(3) 0.2994(3) 0.5616(3) 0.044(3) Uani 1 1 d . . . . .
O107 O 0.3961(3) 0.3038(3) 0.4563(3) 0.042(3) Uani 1 1 d . . . . .
O113 O 0.3221(5) 0.0770(6) 0.5782(5) 0.095(7) Uani 1 1 d . . . . .
O114 O 0.2076(4) 0.1398(5) 0.6443(4) 0.073(5) Uani 1 1 d . . . . .
O115 O 0.3748(4) 0.3493(4) 0.4127(4) 0.063(4) Uani 1 1 d . . . . .
O116 O 0.4770(4) 0.2934(5) 0.4780(4) 0.075(5) Uani 1 1 d . . . . .
O117 O 0.2736(4) 0.2058(4) 0.3278(3) 0.056(4) Uani 1 1 d . . . . .
O121 O 0.2468(4) 0.1838(6) 0.6805(4) 0.088(7) Uani 1 1 d . . . . .
O131 O 0.3642(3) 0.1883(4) 0.3644(4) 0.060(4) Uani 1 1 d . . . . .
O133 O 0.3226(4) 0.2553(4) 0.3232(4) 0.063(4) Uani 1 1 d . . . . .
O138 O 0.1755(4) 0.1003(4) 0.5946(5) 0.072(5) Uani 1 1 d . . . . .
O144 O 0.3775(4) 0.1354(5) 0.6207(8) 0.110(10) Uani 1 1 d . . . . .
O145 O 0.1597(5) 0.0995(4) 0.4554(5) 0.084(7) Uani 1 1 d . . . . .
O147 O 0.3525(4) 0.1203(4) 0.3680(6) 0.087(7) Uani 1 1 d . . . . .
O148 O 0.3223(6) 0.0708(5) 0.4186(8) 0.134(13) Uani 1 1 d . . . . .
O149 O 0.3750(4) 0.3639(4) 0.5527(4) 0.065(4) Uani 1 1 d . . . . .
O152 O 0.3742(5) 0.3624(4) 0.4831(4) 0.073(5) Uani 1 1 d . . . . .
O154 O 0.3277(5) 0.2873(6) 0.6588(5) 0.095(7) Uani 1 1 d . . . . .
O155 O 0.4519(5) 0.2485(6) 0.5977(6) 0.104(8) Uani 1 1 d . . . . .
O159 O 0.1644(4) 0.1061(5) 0.5236(5) 0.076(5) Uani 1 1 d . . . . .
O164 O 0.3461(4) 0.3056(4) 0.3661(3) 0.061(4) Uani 1 1 d . . . . .
O166 O 0.4400(5) 0.2130(5) 0.4302(5) 0.092(7) Uani 1 1 d . . . . .
O173 O 0.2527(7) 0.0196(4) 0.5266(6) 0.104(8) Uani 1 1 d . . . . .
O210 O 0.2822(4) 0.1023(4) 0.3733(5) 0.067(5) Uani 1 1 d . . . . .
O211 O 0.2323(6) 0.0530(4) 0.4720(5) 0.089(7) Uani 1 1 d . . . . .
O212 O 0.2893(4) 0.2366(6) 0.6756(4) 0.079(6) Uani 1 1 d . . . . .
O216 O 0.1666(3) 0.1661(3) 0.4527(3) 0.047(3) Uani 1 1 d . . . . .
O217 O 0.2651(3) 0.2445(4) 0.2065(3) 0.051(4) Uani 1 1 d . . . . .
Na21 Na 0.3993(3) 0.3993(3) 0.3993(3) 0.087(6) Uani 1 3 d S T P . .
O220 O 0.0756(6) 0.1976(5) 0.4851(5) 0.105(8) Uani 1 1 d . . . . .
O221 O 0.0486(9) 0.3138(9) 0.4957(6) 0.162(14) Uani 1 1 d . . . . .
O0AA O 0.2390(4) 0.2712(3) 0.6267(3) 0.047(3) Uani 1 1 d . . . . .
O1AA O 0.2707(3) 0.2888(3) 0.5688(3) 0.035(3) Uani 1 1 d . . . . .
O2AA O 0.2992(3) 0.3349(3) 0.4274(4) 0.048(4) Uani 1 1 d . . . . .
C1 C 0.3583(6) 0.2826(5) 0.6438(5) 0.057(6) Uani 1 1 d . . . . .
H1 H 0.3748 0.2943 0.6567 0.068 Uiso 1 1 calc R . . . .
C2 C 0.3597(5) 0.2952(5) 0.6094(5) 0.044(4) Uani 1 1 d . . . . .
H2 H 0.3417 0.2855 0.5970 0.053 Uiso 1 1 calc R . . . .
C3 C 0.3903(4) 0.2871(5) 0.5931(4) 0.043(4) Uani 1 1 d . . . . .
H3 H 0.4083 0.2974 0.6050 0.052 Uiso 1 1 calc R . . . .
C4 C 0.3945(5) 0.2509(5) 0.5946(5) 0.043(4) Uani 1 1 d . . . . .
H4 H 0.3762 0.2403 0.5833 0.051 Uiso 1 1 calc R . . . .
C5 C 0.4260(5) 0.2379(7) 0.5811(7) 0.065(6) Uani 1 1 d . . . . .
H5A H 0.4255 0.2142 0.5816 0.078 Uiso 1 1 calc R . . . .
H5B H 0.4281 0.2446 0.5584 0.078 Uiso 1 1 calc R . . . .
C6 C 0.3663(4) 0.2470(5) 0.6447(4) 0.041(4) Uani 1 1 d . . . . .
H6 H 0.3701 0.2409 0.6676 0.049 Uiso 1 1 calc R . . . .
C7 C 0.4145(5) 0.3197(6) 0.5532(5) 0.050(5) Uani 1 1 d . . . . .
H7 H 0.4248 0.3283 0.5731 0.060 Uiso 1 1 calc R . . . .
C8 C 0.3987(6) 0.3479(7) 0.5345(7) 0.069(7) Uani 1 1 d . . . . .
H8 H 0.4160 0.3638 0.5297 0.083 Uiso 1 1 calc R . . . .
C9 C 0.3849(6) 0.3364(5) 0.5023(6) 0.056(5) Uani 1 1 d . . . . .
H9 H 0.3666 0.3216 0.5064 0.067 Uiso 1 1 calc R . . . .
C10 C 0.4118(5) 0.3180(5) 0.4852(5) 0.045(5) Uani 1 1 d . . . . .
H10 H 0.4292 0.3331 0.4785 0.054 Uiso 1 1 calc R . . . .
C11 C 0.4258(4) 0.2910(5) 0.5053(5) 0.047(5) Uani 1 1 d . . . . .
H11 H 0.4081 0.2759 0.5113 0.057 Uiso 1 1 calc R . . . .
C12 C 0.4530(5) 0.2716(6) 0.4888(5) 0.058(6) Uani 1 1 d . . . . .
H12A H 0.4624 0.2561 0.5041 0.070 Uiso 1 1 calc R . . . .
H12B H 0.4443 0.2595 0.4703 0.070 Uiso 1 1 calc R . . . .
C13 C 0.4131(4) 0.3077(5) 0.4275(4) 0.039(4) Uani 1 1 d . . . . .
H13 H 0.4309 0.3235 0.4302 0.047 Uiso 1 1 calc R . . . .
C14 C 0.3885(5) 0.3199(5) 0.4029(4) 0.046(5) Uani 1 1 d . . . . .
H14 H 0.4010 0.3248 0.3830 0.055 Uiso 1 1 calc R . . . .
C15 C 0.3636(4) 0.2958(5) 0.3930(5) 0.043(4) Uani 1 1 d . . . . .
H15 H 0.3484 0.2928 0.4112 0.051 Uiso 1 1 calc R . . . .
C16 C 0.3009(4) 0.2066(5) 0.3491(4) 0.042(4) Uani 1 1 d . . . . .
H16 H 0.2952 0.2193 0.3686 0.051 Uiso 1 1 calc R . . . .
C17 C 0.3087(5) 0.1718(5) 0.3592(4) 0.045(5) Uani 1 1 d . . . . .
H17 H 0.3148 0.1594 0.3397 0.054 Uiso 1 1 calc R . . . .
C18 C 0.3277(5) 0.2225(5) 0.3324(4) 0.048(5) Uani 1 1 d . . . . .
H18 H 0.3323 0.2100 0.3124 0.058 Uiso 1 1 calc R . . . .
C19 C 0.3492(6) 0.1416(7) 0.3925(7) 0.076(9) Uani 1 1 d . . . . .
H19A H 0.3700 0.1437 0.4037 0.091 Uiso 1 1 calc R . . . .
H19B H 0.3334 0.1332 0.4080 0.091 Uiso 1 1 calc R . . . .
C20 C 0.3384(4) 0.1746(5) 0.3814(4) 0.042(4) Uani 1 1 d . . . . .
H20 H 0.3331 0.1881 0.4004 0.050 Uiso 1 1 calc R . . . .
C21 C 0.2344(7) 0.0980(5) 0.4095(6) 0.064(7) Uani 1 1 d . . . . .
H21 H 0.2255 0.0783 0.3991 0.076 Uiso 1 1 calc R . . . .
C23 C 0.2212(5) 0.1277(5) 0.3931(5) 0.051(5) Uani 1 1 d . . . . .
H23 H 0.2279 0.1468 0.4059 0.061 Uiso 1 1 calc R . . . .
C24 C 0.2112(8) 0.0716(7) 0.4539(8) 0.079(9) Uani 1 1 d . . . . .
H24 H 0.2037 0.0581 0.4356 0.095 Uiso 1 1 calc R . . . .
C25 C 0.1831(9) 0.0803(6) 0.4723(7) 0.089(11) Uani 1 1 d . . . . .
H25 H 0.1722 0.0599 0.4782 0.107 Uiso 1 1 calc R . . . .
C26 C 0.1907(7) 0.0994(6) 0.5067(8) 0.082(10) Uani 1 1 d . . . . .
H26 H 0.2019 0.1200 0.5016 0.098 Uiso 1 1 calc R . . . .
C28 C 0.2434(6) 0.0701(5) 0.5012(7) 0.069(7) Uani 1 1 d . . . . .
H28 H 0.2549 0.0903 0.4953 0.083 Uiso 1 1 calc R . . . .
C29 C 0.2048(6) 0.0936(6) 0.6045(7) 0.068(7) Uani 1 1 d . . . . .
H29 H 0.2028 0.0793 0.6235 0.081 Uiso 1 1 calc R . . . .
C30 C 0.2223(5) 0.1253(6) 0.6161(6) 0.054(6) Uani 1 1 d . . . . .
H30 H 0.2221 0.1412 0.5982 0.065 Uiso 1 1 calc R . . . .
C31 C 0.2572(5) 0.1177(5) 0.6249(5) 0.045(5) Uani 1 1 d . . . . .
H31 H 0.2574 0.1032 0.6439 0.054 Uiso 1 1 calc R . . . .
C32 C 0.2732(5) 0.1011(5) 0.5978(5) 0.046(5) Uani 1 1 d . . . . .
H32 H 0.2723 0.1154 0.5786 0.055 Uiso 1 1 calc R . . . .
C33 C 0.3078(5) 0.0929(8) 0.6044(6) 0.068(7) Uani 1 1 d . . . . .
H33A H 0.3198 0.1129 0.6090 0.081 Uiso 1 1 calc R . . . .
H33B H 0.3090 0.0791 0.6236 0.081 Uiso 1 1 calc R . . . .
C34 C 0.2656(12) 0.0471(9) 0.5153(10) 0.137(18) Uani 1 1 d . . . . .
H34 H 0.2880 0.0511 0.5164 0.164 Uiso 1 1 calc R . . . .
C35 C 0.2895(6) 0.1474(7) 0.6610(5) 0.057(6) Uani 1 1 d . . . . .
H35 H 0.2821 0.1295 0.6750 0.068 Uiso 1 1 calc R . . . .
C36 C 0.2807(6) 0.1793(9) 0.6764(6) 0.087(11) Uani 1 1 d . . . . .
H36 H 0.2905 0.1794 0.6982 0.104 Uiso 1 1 calc R . . . .
C37 C 0.2942(5) 0.2085(7) 0.6585(5) 0.060(7) Uani 1 1 d . . . . .
H37 H 0.2833 0.2103 0.6372 0.072 Uiso 1 1 calc R . . . .
C39 C 0.2141(8) 0.0775(5) 0.5228(8) 0.087(11) Uani 1 1 d . . . . .
H39 H 0.2032 0.0571 0.5289 0.105 Uiso 1 1 calc R . . . .
C40 C 0.2720(6) 0.0974(5) 0.4077(7) 0.070(9) Uani 1 1 d . . . . .
H40 H 0.2806 0.1154 0.4210 0.083 Uiso 1 1 calc R . . . .
C41 C 0.2870(7) 0.0694(6) 0.4166(8) 0.077(9) Uani 1 1 d . . . . .
H41A H 0.2811 0.0525 0.4011 0.093 Uiso 1 1 calc R . . . .
H41B H 0.2786 0.0629 0.4378 0.093 Uiso 1 1 calc R . . . .
C182 C 0.2354(6) 0.1316(6) 0.3581(5) 0.056(6) Uani 1 1 d . . . . .
H182 H 0.2272 0.1135 0.3448 0.067 Uiso 1 1 calc R . . . .
C183 C 0.4023(6) 0.2531(6) 0.4131(5) 0.061(6) Uani 1 1 d . . . . .
H183 H 0.3897 0.2499 0.4332 0.073 Uiso 1 1 calc R . . . .
C184 C 0.3800(4) 0.2637(5) 0.3860(4) 0.039(4) Uani 1 1 d . . . . .
H184 H 0.3928 0.2659 0.3659 0.047 Uiso 1 1 calc R . . . .
C185 C 0.3590(5) 0.2213(7) 0.3543(5) 0.058(6) Uani 1 1 d . . . . .
H185 H 0.3779 0.2289 0.3417 0.069 Uiso 1 1 calc R . . . .
C187 C 0.3291(5) 0.2026(6) 0.6532(4) 0.052(6) Uani 1 1 d . . . . .
H187 H 0.3403 0.2033 0.6744 0.062 Uiso 1 1 calc R . . . .
C206 C 0.2244(6) 0.0770(5) 0.5812(8) 0.076(9) Uani 1 1 d . . . . .
H206 H 0.2143 0.0557 0.5773 0.091 Uiso 1 1 calc R . . . .
C208 C 0.4206(5) 0.2201(7) 0.4034(5) 0.064(7) Uani 1 1 d . . . . .
H20A H 0.4051 0.2026 0.3994 0.076 Uiso 1 1 calc R . . . .
H20B H 0.4339 0.2231 0.3840 0.076 Uiso 1 1 calc R . . . .
C209 C 0.2704(5) 0.1300(5) 0.3580(5) 0.051(6) Uani 1 1 d . . . . .
H209 H 0.2781 0.1301 0.3354 0.061 Uiso 1 1 calc R . . . .
C213 C 0.3359(4) 0.1735(5) 0.6385(4) 0.044(5) Uani 1 1 d . . . . .
H213 H 0.3264 0.1731 0.6166 0.053 Uiso 1 1 calc R . . . .
C214 C 0.3716(5) 0.1638(7) 0.6368(8) 0.078(9) Uani 1 1 d . . . . .
H21A H 0.3836 0.1812 0.6261 0.094 Uiso 1 1 calc R . . . .
H21B H 0.3799 0.1618 0.6589 0.094 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
W001 O5 1.910(14) . ?
W001 O11 1.945(11) . ?
W001 O14 2.441(10) . ?
W001 O19 1.892(11) . ?
W001 O0AA 1.696(11) . ?
W001 O1AA 1.930(13) . ?
W00A O6B 1.935(12) . ?
W00A O19 1.907(11) . ?
W00A O24 1.888(12) . ?
W00A O29 1.877(12) . ?
W00A O52 1.687(12) . ?
W00A O57 2.431(11) . ?
W00B O27 1.894(12) . ?
W00B O45 2.447(11) . ?
W00B O54 1.919(12) . ?
W00B O77 1.923(12) . ?
W00B O100 1.897(11) . ?
W00B O216 1.680(11) . ?
W00C O8 1.692(11) . ?
W00C O28 2.437(9) . ?
W00C O29 1.914(12) . ?
W00C O30 1.947(11) . ?
W00C O49 1.930(12) . ?
W00C O1AA 1.874(13) . ?
W002 O7 1.675(10) . ?
W002 O9 1.900(11) . ?
W002 O28 2.453(10) . ?
W002 O34 1.887(11) . ?
W002 O49 1.914(11) . ?
W002 O96 1.894(11) . ?
W003 O18 1.905(11) . ?
W003 O34 1.899(11) . ?
W003 O42 1.889(10) . ?
W003 O45 2.436(11) . ?
W003 O66 1.695(12) . ?
W003 O77 1.931(12) . ?
W004 O3 1.885(12) . ?
W004 O6B 1.921(12) . ?
W004 O27 1.887(12) . ?
W004 O57 2.447(10) . ?
W004 O91A 1.695(11) . ?
W004 O91B 1.913(11) . ?
W005 O9 1.941(11) . ?
W005 O21 1.918(11) . ?
W005 O28 2.454(9) . ?
W005 O30 1.901(12) . ?
W005 O71 1.894(11) . ?
W005 O2AA 1.690(11) . ?
W006 O3 1.908(12) . ?
W006 O4 1.684(12) . ?
W006 O5 1.946(13) . ?
W006 O14 2.429(10) . ?
W006 O62 1.927(12) . ?
W006 O100 1.885(11) . ?
W007 O15 1.886(12) . ?
W007 O24 1.933(12) . ?
W007 O50 1.694(12) . ?
W007 O57 2.439(10) . ?
W007 O71 1.897(11) . ?
W007 O91B 1.916(11) . ?
W008 O11 1.901(11) . ?
W008 O14 2.445(10) . ?
W008 O36 1.686(12) . ?
W008 O42 1.907(10) . ?
W008 O62 1.937(11) . ?
W008 O96 1.893(11) . ?
W009 O6A 1.681(10) . ?
W009 O15 1.900(12) . ?
W009 O18 1.921(12) . ?
W009 O21 1.872(11) . ?
W009 O45 2.445(10) . ?
W009 O54 1.917(12) . ?
Co2 O93 2.110(11) 2 ?
Co2 O93 2.110(11) . ?
Co2 O93 2.110(11) 3 ?
Co2 O217 2.109(13) . ?
Co2 O217 2.109(13) 3 ?
Co2 O217 2.109(13) 2 ?
P2 O14 1.537(10) . ?
P2 O28 1.521(10) . ?
P2 O45 1.526(11) . ?
P2 O57 1.527(11) . ?
O1 C17 1.40(3) . ?
O1 C209 1.40(2) . ?
O2 C35 1.37(3) . ?
O2 C213 1.51(2) . ?
O6 C23 1.38(3) . ?
O10 C2 1.47(3) . ?
O90 C21 1.37(3) . ?
O90 C24 1.39(3) . ?
O92 C31 1.42(3) . ?
O92 C35 1.36(2) . ?
O94 C7 1.41(3) . ?
O94 C11 1.43(3) . ?
O95 C6 1.38(2) . ?
O95 C187 1.48(3) . ?
O97 C13 1.41(2) . ?
O97 C183 1.42(3) . ?
O98 C184 1.45(2) . ?
O98 C185 1.38(2) . ?
O99 C32 1.46(3) . ?
O99 C206 1.41(3) . ?
O101 C39 1.43(3) . ?
O101 C206 1.46(3) . ?
O102 C182 1.41(3) . ?
O105 C4 1.43(2) . ?
O105 C6 1.42(2) . ?
O106 C3 1.41(2) . ?
O106 C7 1.39(2) . ?
O107 C10 1.49(2) . ?
O107 C13 1.41(2) . ?
O113 C33 1.41(3) . ?
O114 C30 1.46(3) . ?
O115 Na21 2.39(2) . ?
O115 C14 1.42(2) . ?
O116 C12 1.43(3) . ?
O117 C16 1.45(2) . ?
O121 C36 1.44(3) . ?
O131 C20 1.41(2) . ?
O131 C185 1.46(3) . ?
O133 C18 1.44(3) . ?
O138 C29 1.32(3) . ?
O144 C214 1.38(4) . ?
O145 C25 1.45(3) . ?
O147 C19 1.37(3) . ?
O148 C41 1.48(4) . ?
O149 C8 1.42(3) . ?
O152 C9 1.42(3) . ?
O154 C1 1.44(3) . ?
O155 C5 1.36(3) . ?
O159 C26 1.34(4) . ?
O164 C15 1.40(2) . ?
O166 C208 1.41(3) . ?
O173 C34 1.35(5) . ?
O210 C40 1.51(4) . ?
O210 C209 1.41(3) . ?
O211 C24 1.40(3) . ?
O211 C28 1.49(3) . ?
O212 C37 1.39(3) . ?
Na21 O115 2.39(2) 3 ?
Na21 O115 2.39(2) 2 ?
C1 H1 1.0000 . ?
C1 C2 1.53(3) . ?
C1 C6 1.52(3) . ?
C2 H2 1.0000 . ?
C2 C3 1.48(3) . ?
C3 H3 1.0000 . ?
C3 C4 1.52(3) . ?
C4 H4 1.0000 . ?
C4 C5 1.53(3) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 H6 1.0000 . ?
C7 H7 1.0000 . ?
C7 C8 1.56(4) . ?
C8 H8 1.0000 . ?
C8 C9 1.54(4) . ?
C9 H9 1.0000 . ?
C9 C10 1.54(3) . ?
C10 H10 1.0000 . ?
C10 C11 1.53(3) . ?
C11 H11 1.0000 . ?
C11 C12 1.56(3) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 H13 1.0000 . ?
C13 C14 1.54(3) . ?
C14 H14 1.0000 . ?
C14 C15 1.50(3) . ?
C15 H15 1.0000 . ?
C15 C184 1.53(3) . ?
C16 H16 1.0000 . ?
C16 C17 1.54(3) . ?
C16 C18 1.48(3) . ?
C17 H17 1.0000 . ?
C17 C20 1.55(2) . ?
C18 H18 1.0000 . ?
C18 C185 1.60(3) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C19 C20 1.52(3) . ?
C20 H20 1.0000 . ?
C21 H21 1.0000 . ?
C21 C23 1.52(3) . ?
C21 C40 1.57(4) . ?
C23 H23 1.0000 . ?
C23 C182 1.58(3) . ?
C24 H24 1.0000 . ?
C24 C25 1.45(5) . ?
C25 H25 1.0000 . ?
C25 C26 1.67(4) . ?
C26 H26 1.0000 . ?
C26 C39 1.50(3) . ?
C28 H28 1.0000 . ?
C28 C34 1.46(3) . ?
C28 C39 1.55(4) . ?
C29 H29 1.0000 . ?
C29 C30 1.59(3) . ?
C29 C206 1.45(4) . ?
C30 H30 1.0000 . ?
C30 C31 1.54(3) . ?
C31 H31 1.0000 . ?
C31 C32 1.48(3) . ?
C32 H32 1.0000 . ?
C32 C33 1.51(3) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 H34 0.9500 . ?
C35 H35 1.0000 . ?
C35 C36 1.52(4) . ?
C36 H36 1.0000 . ?
C36 C37 1.54(4) . ?
C37 H37 1.0000 . ?
C37 C187 1.50(3) . ?
C39 H39 1.0000 . ?
C40 H40 1.0000 . ?
C40 C41 1.38(3) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C182 H182 1.0000 . ?
C182 C209 1.46(3) . ?
C183 H183 1.0000 . ?
C183 C184 1.53(3) . ?
C183 C208 1.63(3) . ?
C184 H184 1.0000 . ?
C185 H185 1.0000 . ?
C187 H187 1.0000 . ?
C187 C213 1.39(3) . ?
C206 H206 1.0000 . ?
C208 H20A 0.9900 . ?
C208 H20B 0.9900 . ?
C209 H209 1.0000 . ?
C213 H213 1.0000 . ?
C213 C214 1.54(3) . ?
C214 H21A 0.9900 . ?
C214 H21B 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O5 W001 O11 86.8(5) . . ?
O5 W001 O14 72.2(4) . . ?
O5 W001 O1AA 156.1(5) . . ?
O11 W001 O14 71.5(4) . . ?
O19 W001 O5 91.3(5) . . ?
O19 W001 O11 156.2(5) . . ?
O19 W001 O14 85.4(4) . . ?
O19 W001 O1AA 85.0(5) . . ?
O0AA W001 O5 100.2(7) . . ?
O0AA W001 O11 100.2(6) . . ?
O0AA W001 O14 168.7(5) . . ?
O0AA W001 O19 103.5(6) . . ?
O0AA W001 O1AA 103.6(6) . . ?
O1AA W001 O11 87.1(5) . . ?
O1AA W001 O14 83.9(4) . . ?
O6B W00A O57 71.4(4) . . ?
O19 W00A O6B 87.9(5) . . ?
O19 W00A O57 85.1(4) . . ?
O24 W00A O6B 87.2(5) . . ?
O24 W00A O19 156.2(5) . . ?
O24 W00A O57 71.3(4) . . ?
O29 W00A O6B 155.3(5) . . ?
O29 W00A O19 84.8(5) . . ?
O29 W00A O24 90.0(5) . . ?
O29 W00A O57 84.4(4) . . ?
O52 W00A O6B 101.4(6) . . ?
O52 W00A O19 103.1(6) . . ?
O52 W00A O24 100.7(6) . . ?
O52 W00A O29 103.2(6) . . ?
O52 W00A O57 169.1(6) . . ?
O27 W00B O45 84.7(5) . . ?
O27 W00B O54 90.0(5) . . ?
O27 W00B O77 156.3(5) . . ?
O27 W00B O100 85.5(5) . . ?
O54 W00B O45 71.9(4) . . ?
O54 W00B O77 87.6(5) . . ?
O77 W00B O45 72.1(5) . . ?
O100 W00B O45 83.6(4) . . ?
O100 W00B O54 155.4(5) . . ?
O100 W00B O77 87.0(5) . . ?
O216 W00B O27 103.1(6) . . ?
O216 W00B O45 170.5(6) . . ?
O216 W00B O54 102.4(6) . . ?
O216 W00B O77 100.5(6) . . ?
O216 W00B O100 102.2(6) . . ?
O8 W00C O28 168.8(5) . . ?
O8 W00C O29 103.9(5) . . ?
O8 W00C O30 99.7(6) . . ?
O8 W00C O49 100.6(5) . . ?
O8 W00C O1AA 103.9(6) . . ?
O29 W00C O28 83.5(4) . . ?
O29 W00C O30 88.0(5) . . ?
O29 W00C O49 155.4(5) . . ?
O30 W00C O28 71.9(4) . . ?
O49 W00C O28 72.0(4) . . ?
O49 W00C O30 86.3(5) . . ?
O1AA W00C O28 84.8(4) . . ?
O1AA W00C O29 85.2(5) . . ?
O1AA W00C O30 156.4(5) . . ?
O1AA W00C O49 90.7(5) . . ?
O7 W002 O9 101.8(5) . . ?
O7 W002 O28 171.3(4) . . ?
O7 W002 O34 101.9(6) . . ?
O7 W002 O49 101.7(5) . . ?
O7 W002 O96 102.6(5) . . ?
O9 W002 O28 72.3(4) . . ?
O9 W002 O49 85.5(5) . . ?
O34 W002 O9 90.6(5) . . ?
O34 W002 O28 84.7(4) . . ?
O34 W002 O49 156.3(5) . . ?
O34 W002 O96 86.6(4) . . ?
O49 W002 O28 71.8(4) . . ?
O96 W002 O9 155.4(5) . . ?
O96 W002 O28 83.2(4) . . ?
O96 W002 O49 87.3(5) . . ?
O18 W003 O45 71.6(4) . . ?
O18 W003 O77 87.0(5) . . ?
O34 W003 O18 88.0(5) . . ?
O34 W003 O45 84.2(4) . . ?
O34 W003 O77 156.3(5) . . ?
O42 W003 O18 155.8(5) . . ?
O42 W003 O34 86.6(4) . . ?
O42 W003 O45 84.5(4) . . ?
O42 W003 O77 88.5(5) . . ?
O66 W003 O18 102.6(6) . . ?
O66 W003 O34 101.7(6) . . ?
O66 W003 O42 101.6(6) . . ?
O66 W003 O45 171.7(5) . . ?
O66 W003 O77 102.0(6) . . ?
O77 W003 O45 72.2(4) . . ?
O3 W004 O6B 89.6(5) . . ?
O3 W004 O27 85.8(5) . . ?
O3 W004 O57 84.2(4) . . ?
O3 W004 O91B 154.8(5) . . ?
O6B W004 O57 71.2(4) . . ?
O27 W004 O6B 155.0(5) . . ?
O27 W004 O57 83.8(4) . . ?
O27 W004 O91B 87.2(5) . . ?
O91A W004 O3 103.9(6) . . ?
O91A W004 O6B 100.3(6) . . ?
O91A W004 O27 104.7(6) . . ?
O91A W004 O57 168.5(5) . . ?
O91A W004 O91B 101.3(6) . . ?
O91B W004 O6B 86.5(5) . . ?
O91B W004 O57 71.0(4) . . ?
O9 W005 O28 71.6(4) . . ?
O21 W005 O9 88.1(5) . . ?
O21 W005 O28 83.0(4) . . ?
O30 W005 O9 85.8(5) . . ?
O30 W005 O21 155.2(5) . . ?
O30 W005 O28 72.2(4) . . ?
O71 W005 O9 155.4(5) . . ?
O71 W005 O21 85.5(5) . . ?
O71 W005 O28 84.0(4) . . ?
O71 W005 O30 90.1(5) . . ?
O2AA W005 O9 100.2(5) . . ?
O2AA W005 O21 102.9(7) . . ?
O2AA W005 O28 169.9(5) . . ?
O2AA W005 O30 101.8(7) . . ?
O2AA W005 O71 104.4(5) . . ?
O3 W006 O5 87.8(5) . . ?
O3 W006 O14 83.3(4) . . ?
O3 W006 O62 156.1(5) . . ?
O4 W006 O3 103.6(5) . . ?
O4 W006 O5 101.0(6) . . ?
O4 W006 O14 170.1(5) . . ?
O4 W006 O62 100.2(5) . . ?
O4 W006 O100 103.5(6) . . ?
O5 W006 O14 71.9(4) . . ?
O62 W006 O5 86.6(5) . . ?
O62 W006 O14 72.9(4) . . ?
O100 W006 O3 84.6(5) . . ?
O100 W006 O5 155.5(5) . . ?
O100 W006 O14 84.0(4) . . ?
O100 W006 O62 91.0(5) . . ?
O15 W007 O24 154.0(5) . . ?
O15 W007 O57 83.8(4) . . ?
O15 W007 O71 86.1(5) . . ?
O15 W007 O91B 89.1(5) . . ?
O24 W007 O57 70.5(4) . . ?
O50 W007 O15 103.9(6) . . ?
O50 W007 O24 102.2(6) . . ?
O50 W007 O57 168.7(5) . . ?
O50 W007 O71 104.9(5) . . ?
O50 W007 O91B 100.4(5) . . ?
O71 W007 O24 87.0(5) . . ?
O71 W007 O57 83.6(4) . . ?
O71 W007 O91B 154.7(5) . . ?
O91B W007 O24 86.5(5) . . ?
O91B W007 O57 71.1(4) . . ?
O11 W008 O14 72.0(4) . . ?
O11 W008 O42 156.1(5) . . ?
O11 W008 O62 86.4(5) . . ?
O36 W008 O11 103.4(5) . . ?
O36 W008 O14 171.4(5) . . ?
O36 W008 O42 100.5(5) . . ?
O36 W008 O62 100.3(6) . . ?
O36 W008 O96 102.4(6) . . ?
O42 W008 O14 84.1(4) . . ?
O42 W008 O62 87.7(5) . . ?
O62 W008 O14 72.4(4) . . ?
O96 W008 O11 90.0(5) . . ?
O96 W008 O14 85.1(4) . . ?
O96 W008 O42 86.5(5) . . ?
O96 W008 O62 157.3(5) . . ?
O6A W009 O15 104.9(5) . . ?
O6A W009 O18 101.4(5) . . ?
O6A W009 O21 104.7(6) . . ?
O6A W009 O45 169.4(5) . . ?
O6A W009 O54 100.5(6) . . ?
O15 W009 O18 153.6(5) . . ?
O15 W009 O45 82.5(4) . . ?
O15 W009 O54 86.5(5) . . ?
O18 W009 O45 71.1(4) . . ?
O21 W009 O15 86.5(5) . . ?
O21 W009 O18 89.2(5) . . ?
O21 W009 O45 83.1(4) . . ?
O21 W009 O54 154.8(5) . . ?
O54 W009 O18 86.4(5) . . ?
O54 W009 O45 72.0(4) . . ?
O93 Co2 O93 91.1(4) 3 . ?
O93 Co2 O93 91.1(4) 2 3 ?
O93 Co2 O93 91.1(4) 2 . ?
O217 Co2 O93 175.4(5) . . ?
O217 Co2 O93 85.2(5) 2 3 ?
O217 Co2 O93 175.4(5) 2 2 ?
O217 Co2 O93 91.7(5) 3 2 ?
O217 Co2 O93 175.4(5) 3 3 ?
O217 Co2 O93 91.7(5) . 3 ?
O217 Co2 O93 85.2(5) . 2 ?
O217 Co2 O93 91.7(5) 2 . ?
O217 Co2 O93 85.2(5) 3 . ?
O217 Co2 O217 92.2(6) 3 2 ?
O217 Co2 O217 92.2(6) 2 . ?
O217 Co2 O217 92.2(6) 3 . ?
O28 P2 O14 109.2(6) . . ?
O28 P2 O45 108.7(6) . . ?
O28 P2 O57 110.0(6) . . ?
O45 P2 O14 109.7(6) . . ?
O45 P2 O57 110.3(6) . . ?
O57 P2 O14 108.9(6) . . ?
C209 O1 C17 115.7(15) . . ?
C35 O2 C213 113.7(17) . . ?
W004 O3 W006 151.8(7) . . ?
W001 O5 W006 126.1(6) . . ?
W004 O6B W00A 127.2(6) . . ?
W002 O9 W005 127.1(6) . . ?
W008 O11 W001 126.9(6) . . ?
W001 O14 W008 89.5(3) . . ?
W006 O14 W001 89.7(3) . . ?
W006 O14 W008 89.5(3) . . ?
P2 O14 W001 125.8(6) . . ?
P2 O14 W006 126.1(6) . . ?
P2 O14 W008 124.8(5) . . ?
W007 O15 W009 151.5(6) . . ?
W003 O18 W009 127.8(6) . . ?
W001 O19 W00A 150.8(6) . . ?
W009 O21 W005 151.7(7) . . ?
W00A O24 W007 128.3(7) . . ?
W004 O27 W00B 151.0(7) . . ?
W00C O28 W002 89.3(3) . . ?
W00C O28 W005 89.3(3) . . ?
W002 O28 W005 89.0(3) . . ?
P2 O28 W00C 126.0(6) . . ?
P2 O28 W002 126.3(5) . . ?
P2 O28 W005 125.2(5) . . ?
W00A O29 W00C 152.1(7) . . ?
W005 O30 W00C 126.5(6) . . ?
W002 O34 W003 150.3(6) . . ?
W003 O42 W008 150.1(6) . . ?
W003 O45 W00B 89.4(4) . . ?
W003 O45 W009 89.5(4) . . ?
W009 O45 W00B 89.1(3) . . ?
P2 O45 W00B 124.7(6) . . ?
P2 O45 W003 126.3(6) . . ?
P2 O45 W009 126.1(6) . . ?
W002 O49 W00C 126.8(6) . . ?
W009 O54 W00B 126.9(6) . . ?
W00A O57 W004 90.1(3) . . ?
W00A O57 W007 89.8(3) . . ?
W007 O57 W004 89.6(3) . . ?
P2 O57 W00A 125.8(6) . . ?
P2 O57 W004 125.2(6) . . ?
P2 O57 W007 125.1(6) . . ?
W006 O62 W008 125.2(6) . . ?
W005 O71 W007 151.7(7) . . ?
W00B O77 W003 126.1(7) . . ?
C21 O90 C24 117.8(19) . . ?
C35 O92 C31 116.9(16) . . ?
W004 O91B W007 128.2(6) . . ?
C7 O94 C11 113.8(15) . . ?
C6 O95 C187 117.7(13) . . ?
W008 O96 W002 150.6(6) . . ?
C13 O97 C183 116.1(16) . . ?
C185 O98 C184 114.8(16) . . ?
C206 O99 C32 111.6(16) . . ?
W006 O100 W00B 152.5(7) . . ?
C39 O101 C206 118.1(17) . . ?
C6 O105 C4 115.2(14) . . ?
C7 O106 C3 116.4(14) . . ?
C13 O107 C10 115.1(13) . . ?
C14 O115 Na21 121.2(12) . . ?
C20 O131 C185 114.7(15) . . ?
C209 O210 C40 116.3(15) . . ?
C24 O211 C28 112.0(19) . . ?
O115 Na21 O115 85.9(9) 3 2 ?
O115 Na21 O115 85.9(9) 2 . ?
O115 Na21 O115 85.9(9) 3 . ?
W00C O1AA W001 150.9(6) . . ?
O154 C1 H1 108.1 . . ?
O154 C1 C2 113.3(19) . . ?
O154 C1 C6 108(2) . . ?
C2 C1 H1 108.1 . . ?
C6 C1 H1 108.1 . . ?
C6 C1 C2 110.5(15) . . ?
O10 C2 C1 108.4(17) . . ?
O10 C2 H2 108.5 . . ?
O10 C2 C3 110.2(18) . . ?
C1 C2 H2 108.5 . . ?
C3 C2 C1 112.7(16) . . ?
C3 C2 H2 108.5 . . ?
O106 C3 C2 109.1(15) . . ?
O106 C3 H3 108.7 . . ?
O106 C3 C4 113.7(16) . . ?
C2 C3 H3 108.7 . . ?
C2 C3 C4 107.9(17) . . ?
C4 C3 H3 108.7 . . ?
O105 C4 C3 109.5(15) . . ?
O105 C4 H4 109.2 . . ?
O105 C4 C5 103.7(17) . . ?
C3 C4 H4 109.2 . . ?
C3 C4 C5 115.7(18) . . ?
C5 C4 H4 109.2 . . ?
O155 C5 C4 112(2) . . ?
O155 C5 H5A 109.1 . . ?
O155 C5 H5B 109.1 . . ?
C4 C5 H5A 109.1 . . ?
C4 C5 H5B 109.1 . . ?
H5A C5 H5B 107.9 . . ?
O95 C6 O105 111.9(13) . . ?
O95 C6 C1 109.8(16) . . ?
O95 C6 H6 108.2 . . ?
O105 C6 C1 110.5(18) . . ?
O105 C6 H6 108.2 . . ?
C1 C6 H6 108.2 . . ?
O94 C7 H7 109.2 . . ?
O94 C7 C8 109.4(18) . . ?
O106 C7 O94 113.9(18) . . ?
O106 C7 H7 109.2 . . ?
O106 C7 C8 105.8(17) . . ?
C8 C7 H7 109.2 . . ?
O149 C8 C7 113(2) . . ?
O149 C8 H8 107.4 . . ?
O149 C8 C9 111(2) . . ?
C7 C8 H8 107.4 . . ?
C9 C8 C7 111(2) . . ?
C9 C8 H8 107.4 . . ?
O152 C9 C8 112(2) . . ?
O152 C9 H9 109.2 . . ?
O152 C9 C10 110.4(19) . . ?
C8 C9 H9 109.2 . . ?
C10 C9 C8 106.7(19) . . ?
C10 C9 H9 109.2 . . ?
O107 C10 C9 104.6(16) . . ?
O107 C10 H10 110.1 . . ?
O107 C10 C11 108.6(15) . . ?
C9 C10 H10 110.1 . . ?
C11 C10 C9 113.1(17) . . ?
C11 C10 H10 110.1 . . ?
O94 C11 C10 106.8(18) . . ?
O94 C11 H11 108.8 . . ?
O94 C11 C12 108.8(15) . . ?
C10 C11 H11 108.8 . . ?
C10 C11 C12 114.7(17) . . ?
C12 C11 H11 108.8 . . ?
O116 C12 C11 109(2) . . ?
O116 C12 H12A 109.9 . . ?
O116 C12 H12B 109.9 . . ?
C11 C12 H12A 109.9 . . ?
C11 C12 H12B 109.9 . . ?
H12A C12 H12B 108.3 . . ?
O97 C13 H13 110.6 . . ?
O97 C13 C14 109.8(16) . . ?
O107 C13 O97 109.4(16) . . ?
O107 C13 H13 110.6 . . ?
O107 C13 C14 105.8(14) . . ?
C14 C13 H13 110.6 . . ?
O115 C14 C13 111.4(17) . . ?
O115 C14 H14 105.8 . . ?
O115 C14 C15 112.3(16) . . ?
C13 C14 H14 105.8 . . ?
C15 C14 C13 115.0(17) . . ?
C15 C14 H14 105.8 . . ?
O164 C15 C14 112.7(18) . . ?
O164 C15 H15 108.4 . . ?
O164 C15 C184 109.6(15) . . ?
C14 C15 H15 108.4 . . ?
C14 C15 C184 109.1(14) . . ?
C184 C15 H15 108.4 . . ?
O117 C16 H16 109.1 . . ?
O117 C16 C17 108.3(16) . . ?
O117 C16 C18 108.3(16) . . ?
C17 C16 H16 109.1 . . ?
C18 C16 H16 109.1 . . ?
C18 C16 C17 113.0(17) . . ?
O1 C17 C16 110.8(15) . . ?
O1 C17 H17 108.8 . . ?
O1 C17 C20 114.2(15) . . ?
C16 C17 H17 108.8 . . ?
C16 C17 C20 105.3(17) . . ?
C20 C17 H17 108.8 . . ?
O133 C18 C16 116.2(18) . . ?
O133 C18 H18 107.7 . . ?
O133 C18 C185 107.7(18) . . ?
C16 C18 H18 107.7 . . ?
C16 C18 C185 109.5(17) . . ?
C185 C18 H18 107.7 . . ?
O147 C19 H19A 108.9 . . ?
O147 C19 H19B 108.9 . . ?
O147 C19 C20 113(2) . . ?
H19A C19 H19B 107.8 . . ?
C20 C19 H19A 108.9 . . ?
C20 C19 H19B 108.9 . . ?
O131 C20 C17 109.7(15) . . ?
O131 C20 C19 107.1(18) . . ?
O131 C20 H20 109.8 . . ?
C17 C20 H20 109.8 . . ?
C19 C20 C17 110.7(18) . . ?
C19 C20 H20 109.8 . . ?
O90 C21 H21 109.8 . . ?
O90 C21 C23 109(2) . . ?
O90 C21 C40 108.3(19) . . ?
C23 C21 H21 109.8 . . ?
C23 C21 C40 111(2) . . ?
C40 C21 H21 109.8 . . ?
O6 C23 C21 108(2) . . ?
O6 C23 H23 107.9 . . ?
O6 C23 C182 113.5(17) . . ?
C21 C23 H23 107.9 . . ?
C21 C23 C182 111.3(18) . . ?
C182 C23 H23 107.9 . . ?
O90 C24 O211 113(2) . . ?
O90 C24 H24 107.3 . . ?
O90 C24 C25 110(3) . . ?
O211 C24 H24 107.3 . . ?
O211 C24 C25 111(3) . . ?
C25 C24 H24 107.3 . . ?
O145 C25 H25 106.5 . . ?
O145 C25 C26 106(2) . . ?
C24 C25 O145 115(3) . . ?
C24 C25 H25 106.5 . . ?
C24 C25 C26 115(2) . . ?
C26 C25 H25 106.5 . . ?
O159 C26 C25 113(2) . . ?
O159 C26 H26 108.5 . . ?
O159 C26 C39 115(3) . . ?
C25 C26 H26 108.5 . . ?
C39 C26 C25 103(3) . . ?
C39 C26 H26 108.5 . . ?
O211 C28 H28 110.7 . . ?
O211 C28 C39 109(2) . . ?
C34 C28 O211 102(2) . . ?
C34 C28 H28 110.7 . . ?
C34 C28 C39 113(3) . . ?
C39 C28 H28 110.7 . . ?
O138 C29 H29 107.2 . . ?
O138 C29 C30 110(2) . . ?
O138 C29 C206 115(3) . . ?
C30 C29 H29 107.2 . . ?
C206 C29 H29 107.2 . . ?
C206 C29 C30 110.2(19) . . ?
O114 C30 C29 113.6(18) . . ?
O114 C30 H30 108.8 . . ?
O114 C30 C31 107.0(18) . . ?
C29 C30 H30 108.8 . . ?
C31 C30 C29 110(2) . . ?
C31 C30 H30 108.8 . . ?
O92 C31 C30 108.0(18) . . ?
O92 C31 H31 108.8 . . ?
O92 C31 C32 112.5(15) . . ?
C30 C31 H31 108.8 . . ?
C32 C31 C30 109.9(17) . . ?
C32 C31 H31 108.8 . . ?
O99 C32 C31 110.5(16) . . ?
O99 C32 H32 108.4 . . ?
O99 C32 C33 108(2) . . ?
C31 C32 H32 108.4 . . ?
C31 C32 C33 113.3(18) . . ?
C33 C32 H32 108.4 . . ?
O113 C33 C32 112(2) . . ?
O113 C33 H33A 109.3 . . ?
O113 C33 H33B 109.3 . . ?
C32 C33 H33A 109.3 . . ?
C32 C33 H33B 109.3 . . ?
H33A C33 H33B 107.9 . . ?
O173 C34 C28 117(4) . . ?
O173 C34 H34 121.7 . . ?
C28 C34 H34 121.7 . . ?
O2 C35 H35 109.5 . . ?
O2 C35 C36 108(2) . . ?
O92 C35 O2 116.2(17) . . ?
O92 C35 H35 109.5 . . ?
O92 C35 C36 104(2) . . ?
C36 C35 H35 109.5 . . ?
O121 C36 C35 114(2) . . ?
O121 C36 H36 107.0 . . ?
O121 C36 C37 108(3) . . ?
C35 C36 H36 107.0 . . ?
C35 C36 C37 114(2) . . ?
C37 C36 H36 107.0 . . ?
O212 C37 C36 112(2) . . ?
O212 C37 H37 109.0 . . ?
O212 C37 C187 111(2) . . ?
C36 C37 H37 109.0 . . ?
C187 C37 C36 107(2) . . ?
C187 C37 H37 109.0 . . ?
O101 C39 C26 105(2) . . ?
O101 C39 C28 110(2) . . ?
O101 C39 H39 109.9 . . ?
C26 C39 C28 112(3) . . ?
C26 C39 H39 109.9 . . ?
C28 C39 H39 109.9 . . ?
O210 C40 C21 109.1(17) . . ?
O210 C40 H40 108.8 . . ?
C21 C40 H40 108.8 . . ?
C41 C40 O210 104(2) . . ?
C41 C40 C21 117(3) . . ?
C41 C40 H40 108.8 . . ?
O148 C41 H41A 108.3 . . ?
O148 C41 H41B 108.3 . . ?
C40 C41 O148 116(3) . . ?
C40 C41 H41A 108.3 . . ?
C40 C41 H41B 108.3 . . ?
H41A C41 H41B 107.4 . . ?
O102 C182 C23 110.3(18) . . ?
O102 C182 H182 107.9 . . ?
O102 C182 C209 111(2) . . ?
C23 C182 H182 107.9 . . ?
C209 C182 C23 111.8(17) . . ?
C209 C182 H182 107.9 . . ?
O97 C183 H183 109.9 . . ?
O97 C183 C184 107.4(18) . . ?
O97 C183 C208 109(2) . . ?
C184 C183 H183 109.9 . . ?
C184 C183 C208 110.4(17) . . ?
C208 C183 H183 109.9 . . ?
O98 C184 C15 105.8(14) . . ?
O98 C184 C183 112.7(17) . . ?
O98 C184 H184 108.5 . . ?
C15 C184 H184 108.5 . . ?
C183 C184 C15 112.6(17) . . ?
C183 C184 H184 108.5 . . ?
O98 C185 O131 111.2(19) . . ?
O98 C185 C18 108.5(16) . . ?
O98 C185 H185 109.6 . . ?
O131 C185 C18 108.4(18) . . ?
O131 C185 H185 109.6 . . ?
C18 C185 H185 109.6 . . ?
O95 C187 C37 106.1(19) . . ?
O95 C187 H187 108.7 . . ?
C37 C187 H187 108.7 . . ?
C213 C187 O95 110.5(14) . . ?
C213 C187 C37 114(2) . . ?
C213 C187 H187 108.7 . . ?
O99 C206 O101 108(2) . . ?
O99 C206 C29 116(3) . . ?
O99 C206 H206 107.3 . . ?
O101 C206 H206 107.3 . . ?
C29 C206 O101 110(2) . . ?
C29 C206 H206 107.3 . . ?
O166 C208 C183 104.4(19) . . ?
O166 C208 H20A 110.9 . . ?
O166 C208 H20B 110.9 . . ?
C183 C208 H20A 110.9 . . ?
C183 C208 H20B 110.9 . . ?
H20A C208 H20B 108.9 . . ?
O1 C209 O210 109.6(14) . . ?
O1 C209 C182 108.1(16) . . ?
O1 C209 H209 108.8 . . ?
O210 C209 C182 113(2) . . ?
O210 C209 H209 108.8 . . ?
C182 C209 H209 108.8 . . ?
O2 C213 H213 109.6 . . ?
O2 C213 C214 101.3(17) . . ?
C187 C213 O2 109.8(17) . . ?
C187 C213 H213 109.6 . . ?
C187 C213 C214 116(2) . . ?
C214 C213 H213 109.6 . . ?
O144 C214 C213 115(2) . . ?
O144 C214 H21A 108.6 . . ?
O144 C214 H21B 108.6 . . ?
C213 C214 H21A 108.6 . . ?
C213 C214 H21B 108.6 . . ?
H21A C214 H21B 107.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 C17 C20 O131 177.6(15) . . . . ?
O1 C17 C20 C19 60(2) . . . . ?
O2 C35 C36 O121 179.3(17) . . . . ?
O2 C35 C36 C37 55(2) . . . . ?
O2 C213 C214 O144 64(3) . . . . ?
O3 W004 O27 W00B -28.4(14) . . . . ?
O3 W006 O100 W00B 29.2(15) . . . . ?
O4 W006 O100 W00B 131.9(15) . . . . ?
O5 W001 O19 W00A -121.5(14) . . . . ?
O5 W006 O100 W00B -43(2) . . . . ?
O6 C23 C182 O102 62(2) . . . . ?
O6 C23 C182 C209 -174.3(18) . . . . ?
O7 W002 O34 W003 132.0(13) . . . . ?
O7 W002 O96 W008 -130.2(13) . . . . ?
O6A W009 O21 W005 129.4(14) . . . . ?
O6B W00A O24 W007 -68.3(8) . . . . ?
O6B W00A O29 W00C -42(2) . . . . ?
O6B W004 O3 W006 -126.3(16) . . . . ?
O6B W004 O27 W00B 52(2) . . . . ?
O8 W00C O1AA W001 133.9(14) . . . . ?
O9 W002 O34 W003 -125.8(14) . . . . ?
O9 W002 O96 W008 55(2) . . . . ?
O9 W005 O71 W007 -47(2) . . . . ?
O10 C2 C3 O106 -59(2) . . . . ?
O10 C2 C3 C4 177.0(15) . . . . ?
O11 W001 O19 W00A -36(2) . . . . ?
O11 W008 O96 W002 -127.9(14) . . . . ?
O14 W001 O19 W00A -49.5(14) . . . . ?
O14 W006 O100 W00B -54.6(15) . . . . ?
O14 W008 O96 W002 -56.0(13) . . . . ?
O14 P2 O28 W00C -59.5(8) . . . . ?
O14 P2 O28 W002 61.5(8) . . . . ?
O14 P2 O28 W005 -179.0(6) . . . . ?
O14 P2 O45 W00B 60.9(8) . . . . ?
O14 P2 O45 W003 -58.7(8) . . . . ?
O14 P2 O45 W009 179.8(6) . . . . ?
O14 P2 O57 W00A 61.1(8) . . . . ?
O14 P2 O57 W004 -59.6(8) . . . . ?
O14 P2 O57 W007 -178.7(6) . . . . ?
O15 W007 O71 W005 -27.8(14) . . . . ?
O15 W009 O21 W005 24.9(14) . . . . ?
O18 W003 O34 W002 126.5(14) . . . . ?
O18 W003 O42 W008 -49(2) . . . . ?
O18 W009 O21 W005 -129.0(15) . . . . ?
O19 W00A O24 W007 10.2(18) . . . . ?
O19 W00A O29 W00C 31.8(14) . . . . ?
O21 W005 O71 W007 28.0(14) . . . . ?
O24 W00A O29 W00C -125.0(14) . . . . ?
O24 W007 O15 W009 -51(2) . . . . ?
O24 W007 O71 W005 127.1(14) . . . . ?
O27 W00B O100 W006 -29.3(15) . . . . ?
O27 W004 O3 W006 29.1(16) . . . . ?
O28 W00C O1AA W001 -53.1(13) . . . . ?
O28 W002 O34 W003 -53.7(13) . . . . ?
O28 W002 O96 W008 56.4(13) . . . . ?
O28 W005 O71 W007 -55.4(14) . . . . ?
O28 P2 O14 W001 60.6(8) . . . . ?
O28 P2 O14 W006 -178.1(6) . . . . ?
O28 P2 O14 W008 -58.6(8) . . . . ?
O28 P2 O45 W00B -179.7(6) . . . . ?
O28 P2 O45 W003 60.6(8) . . . . ?
O28 P2 O45 W009 -60.9(8) . . . . ?
O28 P2 O57 W00A -58.5(8) . . . . ?
O28 P2 O57 W004 -179.3(6) . . . . ?
O28 P2 O57 W007 61.6(8) . . . . ?
O29 W00A O24 W007 87.2(9) . . . . ?
O29 W00C O1AA W001 30.8(14) . . . . ?
O30 W00C O1AA W001 -43(2) . . . . ?
O30 W005 O71 W007 -127.5(14) . . . . ?
O34 W002 O96 W008 -28.7(13) . . . . ?
O34 W003 O42 W008 28.8(14) . . . . ?
O36 W008 O96 W002 128.4(13) . . . . ?
O42 W003 O34 W002 -30.0(13) . . . . ?
O42 W008 O96 W002 28.4(13) . . . . ?
O45 W00B O27 W004 -55.6(14) . . . . ?
O45 W00B O100 W006 55.9(15) . . . . ?
O45 W003 O34 W002 54.8(13) . . . . ?
O45 W003 O42 W008 -55.7(14) . . . . ?
O45 W009 O21 W005 -58.0(14) . . . . ?
O45 P2 O14 W001 179.7(6) . . . . ?
O45 P2 O14 W006 -59.1(8) . . . . ?
O45 P2 O14 W008 60.4(8) . . . . ?
O45 P2 O28 W00C -179.2(6) . . . . ?
O45 P2 O28 W002 -58.1(8) . . . . ?
O45 P2 O28 W005 61.3(8) . . . . ?
O45 P2 O57 W00A -178.4(6) . . . . ?
O45 P2 O57 W004 60.8(8) . . . . ?
O45 P2 O57 W007 -58.2(8) . . . . ?
O49 W00C O1AA W001 -125.0(14) . . . . ?
O49 W002 O34 W003 -46(2) . . . . ?
O49 W002 O96 W008 128.4(14) . . . . ?
O50 W007 O15 W009 128.7(14) . . . . ?
O50 W007 O71 W005 -131.1(14) . . . . ?
O52 W00A O24 W007 -169.4(9) . . . . ?
O52 W00A O29 W00C 134.1(14) . . . . ?
O54 W00B O27 W004 -127.5(14) . . . . ?
O54 W00B O100 W006 51(2) . . . . ?
O54 W009 O21 W005 -49(2) . . . . ?
O57 W00A O24 W007 3.0(7) . . . . ?
O57 W00A O29 W00C -53.8(14) . . . . ?
O57 W004 O3 W006 -55.1(15) . . . . ?
O57 W004 O27 W00B 56.2(14) . . . . ?
O57 W007 O15 W009 -59.7(14) . . . . ?
O57 W007 O71 W005 56.4(14) . . . . ?
O57 P2 O14 W001 -59.5(8) . . . . ?
O57 P2 O14 W006 61.8(8) . . . . ?
O57 P2 O14 W008 -178.8(6) . . . . ?
O57 P2 O28 W00C 60.0(8) . . . . ?
O57 P2 O28 W002 -179.0(6) . . . . ?
O57 P2 O28 W005 -59.5(8) . . . . ?
O57 P2 O45 W00B -59.1(8) . . . . ?
O57 P2 O45 W003 -178.7(6) . . . . ?
O57 P2 O45 W009 59.8(9) . . . . ?
O62 W006 O100 W00B -127.3(15) . . . . ?
O62 W008 O96 W002 -47(2) . . . . ?
O66 W003 O34 W002 -131.1(14) . . . . ?
O66 W003 O42 W008 130.0(14) . . . . ?
O71 W007 O15 W009 24.3(15) . . . . ?
O77 W00B O27 W004 -44(2) . . . . ?
O77 W00B O100 W006 128.2(15) . . . . ?
O77 W003 O34 W002 49(2) . . . . ?
O77 W003 O42 W008 -128.0(14) . . . . ?
O90 C21 C23 O6 -65(2) . . . . ?
O90 C21 C23 C182 170.0(17) . . . . ?
O90 C21 C40 O210 -170.3(15) . . . . ?
O90 C21 C40 C41 72(3) . . . . ?
O90 C24 C25 O145 54(3) . . . . ?
O90 C24 C25 C26 -70(3) . . . . ?
O92 C31 C32 O99 -179.8(14) . . . . ?
O92 C31 C32 C33 59(2) . . . . ?
O92 C35 C36 O121 55(2) . . . . ?
O92 C35 C36 C37 -69(2) . . . . ?
O91A W004 O3 W006 133.3(15) . . . . ?
O91A W004 O27 W00B -131.7(14) . . . . ?
O91B W004 O3 W006 -45(2) . . . . ?
O91B W004 O27 W00B 127.3(15) . . . . ?
O91B W007 O15 W009 -130.8(15) . . . . ?
O91B W007 O71 W005 52(2) . . . . ?
O94 C7 C8 O149 -179.3(17) . . . . ?
O94 C7 C8 C9 56(2) . . . . ?
O94 C11 C12 O116 -66(2) . . . . ?
O95 C187 C213 O2 -176.6(13) . . . . ?
O95 C187 C213 C214 69(2) . . . . ?
O96 W002 O34 W003 29.8(13) . . . . ?
O97 C13 C14 O115 177.7(16) . . . . ?
O97 C13 C14 C15 48(2) . . . . ?
O97 C183 C184 O98 -177.0(16) . . . . ?
O97 C183 C184 C15 -57(2) . . . . ?
O97 C183 C208 O166 62(2) . . . . ?
O99 C32 C33 O113 57(3) . . . . ?
O100 W00B O27 W004 28.3(14) . . . . ?
O102 C182 C209 O1 55(2) . . . . ?
O102 C182 C209 O210 176.6(15) . . . . ?
O105 C4 C5 O155 -57(3) . . . . ?
O106 C3 C4 O105 179.9(14) . . . . ?
O106 C3 C4 C5 63(2) . . . . ?
O106 C7 C8 O149 58(2) . . . . ?
O106 C7 C8 C9 -67(2) . . . . ?
O107 C10 C11 O94 -175.3(13) . . . . ?
O107 C10 C11 C12 64.1(19) . . . . ?
O107 C13 C14 O115 60(2) . . . . ?
O107 C13 C14 C15 -70(2) . . . . ?
O114 C30 C31 O92 -60.2(19) . . . . ?
O114 C30 C31 C32 176.8(17) . . . . ?
O115 C14 C15 O164 64(2) . . . . ?
O115 C14 C15 C184 -174.3(16) . . . . ?
O117 C16 C17 O1 -57.1(18) . . . . ?
O117 C16 C17 C20 178.9(14) . . . . ?
O117 C16 C18 O133 62(2) . . . . ?
O117 C16 C18 C185 -175.6(16) . . . . ?
O121 C36 C37 O212 61(3) . . . . ?
O121 C36 C37 C187 -178(2) . . . . ?
O133 C18 C185 O98 58(2) . . . . ?
O133 C18 C185 O131 178.7(15) . . . . ?
O138 C29 C30 O114 65(3) . . . . ?
O138 C29 C30 C31 -175(2) . . . . ?
O138 C29 C206 O99 175.9(17) . . . . ?
O138 C29 C206 O101 52(2) . . . . ?
O145 C25 C26 O159 53(3) . . . . ?
O145 C25 C26 C39 178(2) . . . . ?
O147 C19 C20 O131 -70(2) . . . . ?
O147 C19 C20 C17 50(3) . . . . ?
O149 C8 C9 O152 62(2) . . . . ?
O149 C8 C9 C10 -177.2(17) . . . . ?
O152 C9 C10 O107 -65(2) . . . . ?
O152 C9 C10 C11 176.6(17) . . . . ?
O154 C1 C2 O10 64(3) . . . . ?
O154 C1 C2 C3 -174(2) . . . . ?
O154 C1 C6 O95 50(2) . . . . ?
O154 C1 C6 O105 173.8(16) . . . . ?
O159 C26 C39 O101 -63(3) . . . . ?
O159 C26 C39 C28 178(2) . . . . ?
O164 C15 C184 O98 -62(2) . . . . ?
O164 C15 C184 C183 174.2(19) . . . . ?
O210 C40 C41 O148 67(3) . . . . ?
O211 C24 C25 O145 -179.8(18) . . . . ?
O211 C24 C25 C26 56(3) . . . . ?
O211 C28 C34 O173 -67(4) . . . . ?
O211 C28 C39 O101 -179.5(16) . . . . ?
O211 C28 C39 C26 -63(2) . . . . ?
O212 C37 C187 O95 -63(2) . . . . ?
O212 C37 C187 C213 175.0(18) . . . . ?
O216 W00B O27 W004 129.8(15) . . . . ?
O216 W00B O100 W006 -131.7(15) . . . . ?
Na21 O115 C14 C13 87.9(18) . . . . ?
Na21 O115 C14 C15 -141.5(14) . . . . ?
O0AA W001 O19 W00A 137.7(14) . . . . ?
O1AA W001 O19 W00A 34.8(14) . . . . ?
O2AA W005 O71 W007 130.2(15) . . . . ?
C1 C2 C3 O106 179.8(16) . . . . ?
C1 C2 C3 C4 56(2) . . . . ?
C2 C1 C6 O95 -75(2) . . . . ?
C2 C1 C6 O105 49(2) . . . . ?
C2 C3 C4 O105 -59.0(19) . . . . ?
C2 C3 C4 C5 -175.8(18) . . . . ?
C3 O106 C7 O94 103(2) . . . . ?
C3 O106 C7 C8 -136.8(19) . . . . ?
C3 C4 C5 O155 63(3) . . . . ?
C4 O105 C6 O95 66(2) . . . . ?
C4 O105 C6 C1 -57(2) . . . . ?
C6 O95 C187 C37 125.1(16) . . . . ?
C6 O95 C187 C213 -110.8(17) . . . . ?
C6 O105 C4 C3 62(2) . . . . ?
C6 O105 C4 C5 -174.0(17) . . . . ?
C6 C1 C2 O10 -174.0(18) . . . . ?
C6 C1 C2 C3 -52(3) . . . . ?
C7 O94 C11 C10 64(2) . . . . ?
C7 O94 C11 C12 -171.8(18) . . . . ?
C7 O106 C3 C2 124.1(19) . . . . ?
C7 O106 C3 C4 -115.5(19) . . . . ?
C7 C8 C9 O152 -172.2(19) . . . . ?
C7 C8 C9 C10 -51(2) . . . . ?
C8 C9 C10 O107 172.8(16) . . . . ?
C8 C9 C10 C11 55(2) . . . . ?
C9 C10 C11 O94 -59.6(19) . . . . ?
C9 C10 C11 C12 179.8(17) . . . . ?
C10 O107 C13 O97 109.7(18) . . . . ?
C10 O107 C13 C14 -132.1(17) . . . . ?
C10 C11 C12 O116 53(2) . . . . ?
C11 O94 C7 O106 55(2) . . . . ?
C11 O94 C7 C8 -63(2) . . . . ?
C13 O97 C183 C184 63(2) . . . . ?
C13 O97 C183 C208 -177.3(15) . . . . ?
C13 O107 C10 C9 133.5(16) . . . . ?
C13 O107 C10 C11 -105.5(17) . . . . ?
C13 C14 C15 O164 -167.5(14) . . . . ?
C13 C14 C15 C184 -46(2) . . . . ?
C14 C15 C184 O98 173.8(14) . . . . ?
C14 C15 C184 C183 50(2) . . . . ?
C16 C17 C20 O131 -60.6(19) . . . . ?
C16 C17 C20 C19 -178.6(17) . . . . ?
C16 C18 C185 O98 -69(2) . . . . ?
C16 C18 C185 O131 52(2) . . . . ?
C17 O1 C209 O210 99(2) . . . . ?
C17 O1 C209 C182 -138.2(18) . . . . ?
C17 C16 C18 O133 -177.9(14) . . . . ?
C17 C16 C18 C185 -56(2) . . . . ?
C18 C16 C17 O1 -177.0(14) . . . . ?
C18 C16 C17 C20 59.0(18) . . . . ?
C20 O131 C185 O98 61(2) . . . . ?
C20 O131 C185 C18 -58(2) . . . . ?
C21 O90 C24 O211 101(3) . . . . ?
C21 O90 C24 C25 -133(2) . . . . ?
C21 C23 C182 O102 -175.6(17) . . . . ?
C21 C23 C182 C209 -52(2) . . . . ?
C21 C40 C41 O148 -173(2) . . . . ?
C23 C21 C40 O210 -51(2) . . . . ?
C23 C21 C40 C41 -169(2) . . . . ?
C23 C182 C209 O1 -68(2) . . . . ?
C23 C182 C209 O210 53(2) . . . . ?
C24 O90 C21 C23 129(2) . . . . ?
C24 O90 C21 C40 -110(2) . . . . ?
C24 O211 C28 C34 -178(3) . . . . ?
C24 O211 C28 C39 62(3) . . . . ?
C24 C25 C26 O159 -178(2) . . . . ?
C24 C25 C26 C39 -53(3) . . . . ?
C25 C26 C39 O101 174(2) . . . . ?
C25 C26 C39 C28 55(2) . . . . ?
C28 O211 C24 O90 65(4) . . . . ?
C28 O211 C24 C25 -60(3) . . . . ?
C29 C30 C31 O92 176.2(17) . . . . ?
C29 C30 C31 C32 53(2) . . . . ?
C30 C29 C206 O99 51(3) . . . . ?
C30 C29 C206 O101 -73(2) . . . . ?
C30 C31 C32 O99 -60(2) . . . . ?
C30 C31 C32 C33 179.6(19) . . . . ?
C31 O92 C35 O2 105(2) . . . . ?
C31 O92 C35 C36 -137.1(17) . . . . ?
C31 C32 C33 O113 180(2) . . . . ?
C32 O99 C206 O101 67(3) . . . . ?
C32 O99 C206 C29 -58(2) . . . . ?
C34 C28 C39 O101 68(3) . . . . ?
C34 C28 C39 C26 -176(3) . . . . ?
C35 O2 C213 C187 62(2) . . . . ?
C35 O2 C213 C214 -174(2) . . . . ?
C35 O92 C31 C30 130.7(18) . . . . ?
C35 O92 C31 C32 -107.9(19) . . . . ?
C35 C36 C37 O212 -171.9(19) . . . . ?
C35 C36 C37 C187 -50(3) . . . . ?
C36 C37 C187 O95 174.7(18) . . . . ?
C36 C37 C187 C213 53(2) . . . . ?
C37 C187 C213 O2 -57(2) . . . . ?
C37 C187 C213 C214 -171.6(19) . . . . ?
C39 O101 C206 O99 109(3) . . . . ?
C39 O101 C206 C29 -123(3) . . . . ?
C39 C28 C34 O173 50(4) . . . . ?
C40 O210 C209 O1 63(2) . . . . ?
C40 O210 C209 C182 -57(2) . . . . ?
C40 C21 C23 O6 176.7(17) . . . . ?
C40 C21 C23 C182 51(2) . . . . ?
C183 O97 C13 O107 58(2) . . . . ?
C183 O97 C13 C14 -58(2) . . . . ?
C184 O98 C185 O131 111.4(19) . . . . ?
C184 O98 C185 C18 -129.5(18) . . . . ?
C184 C183 C208 O166 -180(2) . . . . ?
C185 O98 C184 C15 135.5(18) . . . . ?
C185 O98 C184 C183 -101(2) . . . . ?
C185 O131 C20 C17 65(2) . . . . ?
C185 O131 C20 C19 -174.9(17) . . . . ?
C187 O95 C6 O105 107.7(18) . . . . ?
C187 O95 C6 C1 -129.2(17) . . . . ?
C187 C213 C214 O144 -177(2) . . . . ?
C206 O99 C32 C31 60(2) . . . . ?
C206 O99 C32 C33 -176(2) . . . . ?
C206 O101 C39 C26 132(2) . . . . ?
C206 O101 C39 C28 -107(2) . . . . ?
C206 C29 C30 O114 -168(2) . . . . ?
C206 C29 C30 C31 -48(3) . . . . ?
C208 C183 C184 O98 64(2) . . . . ?
C208 C183 C184 C15 -176.6(19) . . . . ?
C209 O1 C17 C16 119.3(16) . . . . ?
C209 O1 C17 C20 -122.0(17) . . . . ?
C209 O210 C40 C21 55(2) . . . . ?
C209 O210 C40 C41 -179.4(18) . . . . ?
C213 O2 C35 O92 58(3) . . . . ?
C213 O2 C35 C36 -58(2) . . . . ?

_shelx_SHELXL_version_number     2014/7

_olex2_submission_special_instructions 'No special instructions were received'
